Statistical tests for dataset shift are susceptible to false alarms: they are sensitive to minor differences when there is in fact adequate sample coverage and predictive performance. We propose instead a framework to detect adverse dataset shifts based on outlier scores, $\texttt{D-SOS}$ for short. $\texttt{D-SOS}$ holds that the new (test) sample is not substantively worse than the reference (training) sample, and not that the two are equal. The key idea is to reduce observations to outlier scores and compare contamination rates at varying weighted thresholds. Users can define what $\it{worse}$ means in terms of relevant notions of outlyingness, including proxies for predictive performance. Compared to tests of equal distribution, our approach is uniquely tailored to serve as a robust metric for model monitoring and data validation. We show how versatile and practical $\texttt{D-SOS}$ is on a wide range of real and simulated data.

Tensor factorization has received increasing interest due to its intrinsic ability to capture latent factors in multi-dimensional data with many applications such as recommender systems and Electronic Health Records (EHR) mining. PARAFAC2 and its variants have been proposed to address irregular tensors where one of the tensor modes is not aligned, e.g., different users in recommender systems or patients in EHRs may have different length of records. PARAFAC2 has been successfully applied on EHRs for extracting meaningful medical concepts (phenotypes). Despite recent advancements, current models' predictability and interpretability are not satisfactory, which limits its utility for downstream analysis. In this paper, we propose MULTIPAR: a supervised irregular tensor factorization with multi-task learning. MULTIPAR is flexible to incorporate both static (e.g. in-hospital mortality prediction) and continuous or dynamic (e.g. the need for ventilation) tasks. By supervising the tensor factorization with downstream prediction tasks and leveraging information from multiple related predictive tasks, MULTIPAR can yield not only more meaningful phenotypes but also better predictive performance for downstream tasks. We conduct extensive experiments on two real-world temporal EHR datasets to demonstrate that MULTIPAR is scalable and achieves better tensor fit with more meaningful subgroups and stronger predictive performance compared to existing state-of-the-art methods.

Networked control systems have gained considerable attention over the last decade as a result of the trend towards decentralised control applications and the emergence of cyber-physical system applications. However, real-world wireless networked control systems suffer from limited communication bandwidths, reliability issues, and a lack of awareness of network dynamics due to the complex nature of wireless networks. Combining machine learning and event-triggered control has the potential to alleviate some of these issues. For example, machine learning can be used to overcome the problem of a lack of network models by learning system behavior or adapting to dynamically changing models by continuously learning model dynamics. Event-triggered control can help to conserve communication bandwidth by transmitting control information only when necessary or when resources are available. The purpose of this article is to conduct a review of the literature on the use of machine learning in combination with event-triggered control. Machine learning techniques such as statistical learning, neural networks, and reinforcement learning-based approaches such as deep reinforcement learning are being investigated in combination with event-triggered control. We discuss how these learning algorithms can be used for different applications depending on the purpose of the machine learning use. Following the review and discussion of the literature, we highlight open research questions and challenges associated with machine learning-based event-triggered control and suggest potential solutions.

Booking control problems are sequential decision-making problems that occur in the domain of revenue management. More precisely, freight booking control focuses on the problem of deciding to accept or reject bookings: given a limited capacity, accept a booking request or reject it to reserve capacity for future bookings with potentially higher revenue. This problem can be formulated as a finite-horizon stochastic dynamic program, where accepting a set of requests results in a profit at the end of the booking period that depends on the cost of fulfilling the accepted bookings. For many freight applications, the cost of fulfilling requests is obtained by solving an operational decision-making problem, which often requires the solutions to mixed-integer linear programs. Routinely solving such operational problems when deploying reinforcement learning algorithms may be too time consuming. The majority of booking control policies are obtained by solving problem-specific mathematical programming relaxations that are often non-trivial to generalize to new problems and, in some cases, provide quite crude approximations. In this work, we propose a two-phase approach: we first train a supervised learning model to predict the objective of the operational problem, and then we deploy the model within reinforcement learning algorithms to compute control policies. This approach is general: it can be used every time the objective function of the end-of-horizon operational problem can be predicted, and it is particularly suitable to those cases where such problems are computationally hard. Furthermore, it allows one to leverage the recent advances in reinforcement learning as routinely solving the operational problem is replaced with a single prediction. Our methodology is evaluated on two booking control problems in the literature, namely, distributional logistics and airline cargo management.

Much of our experiments are designed to uncover the cause(s) and effect(s) behind a data generating mechanism (i.e., phenomenon) we happen to be interested in. Uncovering such relationships allows us to identify the true working of a phenomenon and, most importantly, articulate a model that may enable us to further explore the phenomenon on hand and/or allow us to predict it accurately. Fundamentally, such models are likely to be derived via a causal approach (as opposed to an observational or empirical mean). In this approach, causal discovery is required to create a causal model, which can then be applied to infer the influence of interventions, and answer any hypothetical questions (i.e., in the form of What ifs? Etc.) that we might have. This paper builds a case for causal discovery and causal inference and contrasts that against traditional machine learning approaches; all from a civil and structural engineering perspective. More specifically, this paper outlines the key principles of causality and the most commonly used algorithms and packages for causal discovery and causal inference. Finally, this paper also presents a series of examples and case studies of how causal concepts can be adopted for our domain.

Conventional machine learning studies generally assume close-environment scenarios where important factors of the learning process hold invariant. With the great success of machine learning, nowadays, more and more practical tasks, particularly those involving open-environment scenarios where important factors are subject to change, called open-environment machine learning (Open ML) in this article, are present to the community. Evidently it is a grand challenge for machine learning turning from close environment to open environment. It becomes even more challenging since, in various big data tasks, data are usually accumulated with time, like streams, while it is hard to train the machine learning model after collecting all data as in conventional studies. This article briefly introduces some advances in this line of research, focusing on techniques concerning emerging new classes, decremental/incremental features, changing data distributions, varied learning objectives, and discusses some theoretical issues.

We propose an unsupervised deep learning based method to estimate depth from focal stack camera images. On the NYU-v2 dataset, our method achieves much better depth estimation accuracy compared to single-image based methods.

We present the COGnitive Neural GENerative system (CogNGen), a cognitive architecture that combines two neurobiologically-plausible, computational models: predictive processing and hyperdimensional/vector-symbolic models. We draw inspiration from architectures such as ACT-R and Spaun/Nengo. CogNGen is in broad agreement with these, providing a level of detail between ACT-R's high-level symbolic description of human cognition and Spaun's low-level neurobiological description, furthermore creating the groundwork for designing agents that learn continually from diverse tasks and model human performance at larger scales than what is possible with current systems. We test CogNGen on four maze-learning tasks, including those that test memory and planning, and find that CogNGen matches performance of deep reinforcement learning models and exceeds on a task designed to test memory.

Large quantifies of online user activity data, such as weekly web search volumes, which co-evolve with the mutual influence of several queries and locations, serve as an important social sensor. It is an important task to accurately forecast the future activity by discovering latent interactions from such data, i.e., the ecosystems between each query and the flow of influences between each area. However, this is a difficult problem in terms of data quantity and complex patterns covering the dynamics. To tackle the problem, we propose FluxCube, which is an effective mining method that forecasts large collections of co-evolving online user activity and provides good interpretability. Our model is the expansion of a combination of two mathematical models: a reaction-diffusion system provides a framework for modeling the flow of influences between local area groups and an ecological system models the latent interactions between each query. Also, by leveraging the concept of physics-informed neural networks, FluxCube achieves high interpretability obtained from the parameters and high forecasting performance, together. Extensive experiments on real datasets showed that FluxCube outperforms comparable models in terms of the forecasting accuracy, and each component in FluxCube contributes to the enhanced performance. We then show some case studies that FluxCube can extract useful latent interactions between queries and area groups.

In this paper, we study a physics-informed algorithm for Wasserstein Generative Adversarial Networks (WGANs) for uncertainty quantification in solutions of partial differential equations. By using groupsort activation functions in adversarial network discriminators, network generators are utilized to learn the uncertainty in solutions of partial differential equations observed from the initial/boundary data. Under mild assumptions, we show that the generalization error of the computed generator converges to the approximation error of the network with high probability, when the number of samples are sufficiently taken. According to our established error bound, we also find that our physics-informed WGANs have higher requirement for the capacity of discriminators than that of generators. Numerical results on synthetic examples of partial differential equations are reported to validate our theoretical results and demonstrate how uncertainty quantification can be obtained for solutions of partial differential equations and the distributions of initial/boundary data. However, the quality or the accuracy of the uncertainty quantification theory in all the points in the interior is still the theoretical vacancy, and required for further research.

Purpose: When a learner fails to reach a milestone, educators often wonder if there had been any warning signs that could have allowed them to intervene sooner. Machine learning can predict which students are at risk of failing a high-stakes certification exam. If predictions can be made well in advance of the exam, then educators can meaningfully intervene before students take the exam to reduce the chances of a failing score. Methods: Using already-collected, first-year student assessment data from five cohorts in a Master of Physician Assistant Studies program, the authors implement an "adaptive minimum match" version of the k-nearest neighbors algorithm (AMMKNN), using changing numbers of neighbors to predict each student's future exam scores on the Physician Assistant National Certifying Examination (PANCE). Validation occurred in two ways: Leave-one-out cross-validation (LOOCV) and evaluating the predictions in a new cohort. Results: AMMKNN achieved an accuracy of 93% in LOOCV. AMMKNN generates a predicted PANCE score for each student, one year before they are scheduled to take the exam. Students can then be classified into extra support, optional extra support, or no extra support groups. The educator then has one year to provide the appropriate customized support to each category of student. Conclusions: Predictive analytics can identify at-risk students, so they can receive additional support or remediation when preparing for high-stakes certification exams. Educators can use the included methods and code to generate predicted test outcomes for students. The authors recommend that educators use this or similar predictive methods responsibly and transparently, as one of many tools used to support students.

The purpose of this review is to introduce the reader to graph kernels, with a view of applying them in classification problems in chemoinformatics. Graph kernels are functions that allow us to infer chemical properties of molecules, which can help with tasks such as finding suitable compounds for drug design. The use of kernel methods is but one particular way two quantify similarity between graphs. We restrict our discussion to this one method, although popular alternatives have emerged in recent years, most notably Graph Neural Networks.

We consider a class of restless bandit problems that finds a broad application area in stochastic optimization, reinforcement learning and operations research. We consider $N$ independent discrete-time Markov processes, each of which had two possible states: 1 and 0 (`good' and `bad'). Only if a process is both in state 1 and observed to be so does reward accrue. The aim is to maximize the expected discounted sum of returns over the infinite horizon subject to a constraint that only $M$ $(<N)$ processes may be observed at each step. Observation is error-prone: there are known probabilities that state 1 (0) will be observed as 0 (1). From this one knows, at any time $t$, a probability that process $i$ is in state 1. The resulting system may be modeled as a restless multi-armed bandit problem with an information state space of uncountable cardinality. Restless bandit problems with even finite state spaces are PSPACE-HARD in general. We propose a novel approach for simplifying the dynamic programming equations of this class of restless bandits and develop a low-complexity algorithm that achieves a strong performance and is readily extensible to the general restless bandit model with observation errors. Under certain conditions, we establish the existence (indexability) of Whittle index and its equivalence to our algorithm. When those conditions do not hold, we show by numerical experiments the near-optimal performance of our algorithm in the general parametric space. Last, we theoretically prove the optimality of our algorithm for homogeneous systems.

This paper proposes a framework based on a causal model of safety upon which effective safety assurance cases for ML-based applications can be built. In doing so, we build upon established principles of safety engineering as well as previous work on structuring assurance arguments for ML. The paper defines four categories of safety case evidence and a structured analysis approach within which these evidences can be effectively combined. Where appropriate, abstract formalisations of these contributions are used to illustrate the causalities they evaluate, their contributions to the safety argument and desirable properties of the evidences. Based on the proposed framework, progress in this area is re-evaluated and a set of future research directions proposed in order for tangible progress in this field to be made.

Stochastic approximation algorithms are iterative procedures which are used to approximate a target value in an environment where the target is unknown and direct observations are corrupted by noise. These algorithms are useful, for instance, for root-finding and function minimization when the target function or model is not directly known. Originally introduced in a 1951 paper by Robbins and Monro, the field of Stochastic approximation has grown enormously and has come to influence application domains from adaptive signal processing to artificial intelligence. As an example, the Stochastic Gradient Descent algorithm which is ubiquitous in various subdomains of Machine Learning is based on stochastic approximation theory. In this paper, we give a formal proof (in the Coq proof assistant) of a general convergence theorem due to Aryeh Dvoretzky, which implies the convergence of important classical methods such as the Robbins-Monro and the Kiefer-Wolfowitz algorithms. In the process, we build a comprehensive Coq library of measure-theoretic probability theory and stochastic processes.

We transfer distances on clusterings to the building process of decision trees, and as a consequence extend the classical ID3 algorithm to perform modifications based on the global distance of the tree to the ground truth--instead of considering single leaves. Next, we evaluate this idea in comparison with the original version and discuss occurring problems, but also strengths of the global approach. On this basis, we finish by identifying other scenarios where global evaluations are worthwhile.

Structural magnetic resonance imaging studies have shown that brain anatomical abnormalities are associated with cognitive deficits in preterm infants. Brain maturation and geometric features can be used with machine learning models for predicting later neurodevelopmental deficits. However, traditional machine learning models would suffer from a large feature-to-instance ratio (i.e., a large number of features but a small number of instances/samples). Ensemble learning is a paradigm that strategically generates and integrates a library of machine learning classifiers and has been successfully used on a wide variety of predictive modeling problems to boost model performance. Attribute (i.e., feature) bagging method is the most commonly used feature partitioning scheme, which randomly and repeatedly draws feature subsets from the entire feature set. Although attribute bagging method can effectively reduce feature dimensionality to handle the large feature-to-instance ratio, it lacks consideration of domain knowledge and latent relationship among features. In this study, we proposed a novel Ontology-guided Attribute Partitioning (OAP) method to better draw feature subsets by considering the domain-specific relationship among features. With the better partitioned feature subsets, we developed an ensemble learning framework, which is referred to as OAP-Ensemble Learning (OAP-EL). We applied the OAP-EL to predict cognitive deficits at 2 years of age using quantitative brain maturation and geometric features obtained at term equivalent age in very preterm infants. We demonstrated that the proposed OAP-EL approach significantly outperformed the peer ensemble learning and traditional machine learning approaches.

Federated learning (FL) trains a global model across a number of decentralized users, each with a local dataset. Compared to traditional centralized learning, FL does not require direct access to local datasets and thus aims to mitigate data privacy concerns. However, data privacy leakage in FL still exists due to inference attacks, including membership inference, property inference, and data inversion. In this work, we propose a new type of privacy inference attack, coined Preference Profiling Attack (PPA), that accurately profiles the private preferences of a local user, e.g., most liked (disliked) items from the client's online shopping and most common expressions from the user's selfies. In general, PPA can profile top-k (i.e., k = 1, 2, 3 and k = 1 in particular) preferences contingent on the local client (user)'s characteristics. Our key insight is that the gradient variation of a local user's model has a distinguishable sensitivity to the sample proportion of a given class, especially the majority (minority) class. By observing a user model's gradient sensitivity to a class, PPA can profile the sample proportion of the class in the user's local dataset, and thus the user's preference of the class is exposed. The inherent statistical heterogeneity of FL further facilitates PPA. We have extensively evaluated the PPA's effectiveness using four datasets (MNIST, CIFAR10, RAF-DB and Products-10K). Our results show that PPA achieves 90% and 98% top-1 attack accuracy to the MNIST and CIFAR10, respectively. More importantly, in real-world commercial scenarios of shopping (i.e., Products-10K) and social network (i.e., RAF-DB), PPA gains a top-1 attack accuracy of 78% in the former case to infer the most ordered items (i.e., as a commercial competitor), and 88% in the latter case to infer a victim user's most often facial expressions, e.g., disgusted.

In this paper, we explore the use of GAN-based few-shot data augmentation as a method to improve few-shot classification performance. We perform an exploration into how a GAN can be fine-tuned for such a task (one of which is in a class-incremental manner), as well as a rigorous empirical investigation into how well these models can perform to improve few-shot classification. We identify issues related to the difficulty of training such generative models under a purely supervised regime with very few examples, as well as issues regarding the evaluation protocols of existing works. We also find that in this regime, classification accuracy is highly sensitive to how the classes of the dataset are randomly split. Therefore, we propose a semi-supervised fine-tuning approach as a more pragmatic way forward to address these problems.

By enabling multiple agents to cooperatively solve a global optimization problem in the absence of a central coordinator, decentralized stochastic optimization is gaining increasing attention in areas as diverse as machine learning, control, and sensor networks. Since the associated data usually contain sensitive information, such as user locations and personal identities, privacy protection has emerged as a crucial need in the implementation of decentralized stochastic optimization. In this paper, we propose a decentralized stochastic optimization algorithm that is able to guarantee provable convergence accuracy even in the presence of aggressive quantization errors that are proportional to the amplitude of quantization inputs. The result applies to both convex and non-convex objective functions, and enables us to exploit aggressive quantization schemes to obfuscate shared information, and hence enables privacy protection without losing provable optimization accuracy. In fact, by using a {stochastic} ternary quantization scheme, which quantizes any value to three numerical levels, we achieve quantization-based rigorous differential privacy in decentralized stochastic optimization, which has not been reported before. In combination with the presented quantization scheme, the proposed algorithm ensures, for the first time, rigorous differential privacy in decentralized stochastic optimization without losing provable convergence accuracy. Simulation results for a distributed estimation problem as well as numerical experiments for decentralized learning on a benchmark machine learning dataset confirm the effectiveness of the proposed approach.

In multi-agent reinforcement learning (MARL), independent learners are those that do not observe the actions of other agents in the system. Due to the decentralization of information, it is challenging to design independent learners that drive play to equilibrium. This paper investigates the feasibility of using satisficing dynamics to guide independent learners to approximate equilibrium in stochastic games. For $\epsilon \geq 0$, an $\epsilon$-satisficing policy update rule is any rule that instructs the agent to not change its policy when it is $\epsilon$-best-responding to the policies of the remaining players; $\epsilon$-satisficing paths are defined to be sequences of joint policies obtained when each agent uses some $\epsilon$-satisficing policy update rule to select its next policy. We establish structural results on the existence of $\epsilon$-satisficing paths into $\epsilon$-equilibrium in both symmetric $N$-player games and general stochastic games with two players. We then present an independent learning algorithm for $N$-player symmetric games and give high probability guarantees of convergence to $\epsilon$-equilibrium under self-play. This guarantee is made using symmetry alone, leveraging the previously unexploited structure of $\epsilon$-satisficing paths.

In sliced networks, the shared tenancy of slices requires adaptive admission control of data flows, based on measurements of network resources. In this paper, we investigate the design of measurement-based admission control schemes, deciding whether a new data flow can be admitted and in this case, on which slice. The objective is to devise a joint measurement and decision strategy that returns a correct decision (e.g., the least loaded slice) with a certain level of confidence while minimizing the measurement cost (the number of measurements made before committing to the decision). We study the design of such strategies for several natural admission criteria specifying what a correct decision is. For each of these criteria, using tools from best arm identification in bandits, we first derive an explicit information-theoretical lower bound on the cost of any algorithm returning the correct decision with fixed confidence. We then devise a joint measurement and decision strategy achieving this theoretical limit. We compare empirically the measurement costs of these strategies, and compare them both to the lower bounds as well as a naive measurement scheme. We find that our algorithm significantly outperforms the naive scheme (by a factor $2-8$).

This paper develops the method of Continuous Pontryagin Differentiable Programming (Continuous PDP), which enables a robot to learn an objective function from a few sparsely demonstrated keyframes. The keyframes, labeled with some time stamps, are the desired task-space outputs, which a robot is expected to follow sequentially. The time stamps of the keyframes can be different from the time of the robot's actual execution. The method jointly finds an objective function and a time-warping function such that the robot's resulting trajectory sequentially follows the keyframes with minimal discrepancy loss. The Continuous PDP minimizes the discrepancy loss using projected gradient descent, by efficiently solving the gradient of the robot trajectory with respect to the unknown parameters. The method is first evaluated on a simulated robot arm and then applied to a 6-DoF quadrotor to learn an objective function for motion planning in unmodeled environments. The results show the efficiency of the method, its ability to handle time misalignment between keyframes and robot execution, and the generalization of objective learning into unseen motion conditions.

Approximations of optimization problems arise in computational procedures and sensitivity analysis. The resulting effect on solutions can be significant, with even small approximations of components of a problem translating into large errors in the solutions. We specify conditions under which approximations are well behaved in the sense of minimizers, stationary points, and level-sets and this leads to a framework of consistent approximations. The framework is developed for a broad class of composite problems, which are neither convex nor smooth. We demonstrate the framework using examples from stochastic optimization, neural-network based machine learning, distributionally robust optimization, penalty and augmented Lagrangian methods, interior-point methods, homotopy methods, smoothing methods, extended nonlinear programming, difference-of-convex programming, and multi-objective optimization. An enhanced proximal method illustrates the algorithmic possibilities. A quantitative analysis supplements the development by furnishing rates of convergence.

Semi-supervised learning (SSL) has demonstrated its potential to improve the model accuracy for a variety of learning tasks when the high-quality supervised data is severely limited. Although it is often established that the average accuracy for the entire population of data is improved, it is unclear how SSL fares with different sub-populations. Understanding the above question has substantial fairness implications when different sub-populations are defined by the demographic groups that we aim to treat fairly. In this paper, we reveal the disparate impacts of deploying SSL: the sub-population who has a higher baseline accuracy without using SSL (the "rich" one) tends to benefit more from SSL; while the sub-population who suffers from a low baseline accuracy (the "poor" one) might even observe a performance drop after adding the SSL module. We theoretically and empirically establish the above observation for a broad family of SSL algorithms, which either explicitly or implicitly use an auxiliary "pseudo-label". Experiments on a set of image and text classification tasks confirm our claims. We introduce a new metric, Benefit Ratio, and promote the evaluation of the fairness of SSL (Equalized Benefit Ratio). We further discuss how the disparate impact can be mitigated. We hope our paper will alarm the potential pitfall of using SSL and encourage a multifaceted evaluation of future SSL algorithms.

This paper combines deep learning techniques for species detection, 3D model fitting, and metric learning in one pipeline to perform individual animal identification from photographs by exploiting unique coat patterns. This is the first work to attempt this and, compared to traditional 2D bounding box or segmentation based CNN identification pipelines, the approach provides effective and explicit view-point normalisation and allows for a straight forward visualisation of the learned biometric population space. Note that due to the use of metric learning the pipeline is also readily applicable to open set and zero shot re-identification scenarios. We apply the proposed approach to individual Grevy's zebra (Equus grevyi) identification and show in a small study on the SMALST dataset that the use of 3D model fitting can indeed benefit performance. In particular, back-projected textures from 3D fitted models improve identification accuracy from 48.0% to 56.8% compared to 2D bounding box approaches for the dataset. Whilst the study is far too small accurately to estimate the full performance potential achievable in larger-scale real-world application settings and in comparisons against polished tools, our work lays the conceptual and practical foundations for a next step in animal biometrics towards deep metric learning driven, fully 3D-aware animal identification in open population settings. We publish network weights and relevant facilitating source code with this paper for full reproducibility and as inspiration for further research.

Antimicrobial resistance (AMR) is a growing public health threat, estimated to cause over 10 million deaths per year and cost the global economy 100 trillion USD by 2050 under status quo projections. These losses would mainly result from an increase in the morbidity and mortality from treatment failure, AMR infections during medical procedures, and a loss of quality of life attributed to AMR. Numerous interventions have been proposed to control the development of AMR and mitigate the risks posed by its spread. This paper reviews key aspects of bacterial AMR management and control which make essential use of data technologies such as artificial intelligence, machine learning, and mathematical and statistical modelling, fields that have seen rapid developments in this century. Although data technologies have become an integral part of biomedical research, their impact on AMR management has remained modest. We outline the use of data technologies to combat AMR, detailing recent advancements in four complementary categories: surveillance, prevention, diagnosis, and treatment. We provide an overview on current AMR control approaches using data technologies within biomedical research, clinical practice, and in the "One Health" context. We discuss the potential impact and challenges wider implementation of data technologies is facing in high-income as well as in low- and middle-income countries, and recommend concrete actions needed to allow these technologies to be more readily integrated within the healthcare and public health sectors.

We formulate a class of physics-driven deep latent variable models (PDDLVM) to learn parameter-to-solution (forward) and solution-to-parameter (inverse) maps of parametric partial differential equations (PDEs). Our formulation leverages the finite element method (FEM), deep neural networks, and probabilistic modeling to assemble a deep probabilistic framework in which the forward and inverse maps are approximated with coherent uncertainty quantification. Our probabilistic model explicitly incorporates a parametric PDE-based density and a trainable solution-to-parameter network while the introduced amortized variational family postulates a parameter-to-solution network, all of which are jointly trained. Furthermore, the proposed methodology does not require any expensive PDE solves and is physics-informed only at training time, which allows real-time emulation of PDEs and generation of inverse problem solutions after training, bypassing the need for FEM solve operations with comparable accuracy to FEM solutions. The proposed framework further allows for a seamless integration of observed data for solving inverse problems and building generative models. We demonstrate the effectiveness of our method on a nonlinear Poisson problem, elastic shells with complex 3D geometries, and integrating generic physics-informed neural networks (PINN) architectures. We achieve up to three orders of magnitude speed-ups after training compared to traditional FEM solvers, while outputting coherent uncertainty estimates.

This paper proposes a Bayesian model to compare multiple algorithms on multiple data sets, on any metric. The model is based on the Bradley-Terry model, that counts the number of times one algorithm performs better than another on different data sets. Because of its Bayesian foundations, the Bayesian Bradley Terry model (BBT) has different characteristics than frequentist approaches to comparing multiple algorithms on multiple data sets, such as Demsar (2006) tests on mean rank, and Benavoli et al. (2016) multiple pairwise Wilcoxon tests with p-adjustment procedures. In particular, a Bayesian approach allows for more nuanced statements regarding the algorithms beyond claiming that the difference is or it is not statistically significant. Bayesian approaches also allow to define when two algorithms are equivalent for practical purposes, or the region of practical equivalence (ROPE). Different than a Bayesian signed rank comparison procedure proposed by Benavoli et al. (2017), our approach can define a ROPE for any metric, since it is based on probability statements, and not on differences of that metric. This paper also proposes a local ROPE concept, that evaluates whether a positive difference between a mean measure across some cross validation to the mean of some other algorithms is should be really seen as the first algorithm being better than the second, based on effect sizes. This local ROPE proposal is independent of a Bayesian use, and can be used in frequentist approaches based on ranks. A R package and a Python program that implements the BBT is available.

The amount of training-data is one of the key factors which determines the generalization capacity of learning algorithms. Intuitively, one expects the error rate to decrease as the amount of training-data increases. Perhaps surprisingly, natural attempts to formalize this intuition give rise to interesting and challenging mathematical questions. For example, in their classical book on pattern recognition, Devroye, Gyorfi, and Lugosi (1996) ask whether there exists a {monotone} Bayes-consistent algorithm. This question remained open for over 25 years, until recently Pestov (2021) resolved it for binary classification, using an intricate construction of a monotone Bayes-consistent algorithm. We derive a general result in multiclass classification, showing that every learning algorithm A can be transformed to a monotone one with similar performance. Further, the transformation is efficient and only uses a black-box oracle access to A. This demonstrates that one can provably avoid non-monotonic behaviour without compromising performance, thus answering questions asked by Devroye et al (1996), Viering, Mey, and Loog (2019), Viering and Loog (2021), and by Mhammedi (2021). Our transformation readily implies monotone learners in a variety of contexts: for example it extends Pestov's result to classification tasks with an arbitrary number of labels. This is in contrast with Pestov's work which is tailored to binary classification. In addition, we provide uniform bounds on the error of the monotone algorithm. This makes our transformation applicable in distribution-free settings. For example, in PAC learning it implies that every learnable class admits a monotone PAC learner. This resolves questions by Viering, Mey, and Loog (2019); Viering and Loog (2021); Mhammedi (2021).

This paper addresses the problem of inverse reinforcement learning (IRL) -- inferring the reward function of an agent from observing its behavior. IRL can provide a generalizable and compact representation for apprenticeship learning, and enable accurately inferring the preferences of a human in order to assist them. %and provide for more accurate prediction. However, effective IRL is challenging, because many reward functions can be compatible with an observed behavior. We focus on how prior reinforcement learning (RL) experience can be leveraged to make learning these preferences faster and more efficient. We propose the IRL algorithm BASIS (Behavior Acquisition through Successor-feature Intention inference from Samples), which leverages multi-task RL pre-training and successor features to allow an agent to build a strong basis for intentions that spans the space of possible goals in a given domain. When exposed to just a few expert demonstrations optimizing a novel goal, the agent uses its basis to quickly and effectively infer the reward function. Our experiments reveal that our method is highly effective at inferring and optimizing demonstrated reward functions, accurately inferring reward functions from less than 100 trajectories.

Contrastive learning is a recent promising approach in unsupervised representation learning where a feature representation of data is learned by solving a pseudo classification problem from unlabelled data. However, it is not straightforward to understand what representation contrastive learning yields. In addition, contrastive learning is often based on the maximum likelihood estimation, which tends to be vulnerable to the contamination by outliers. To promote the understanding to contrastive learning, this paper first theoretically shows a connection to maximization of mutual information (MI). Our result indicates that density ratio estimation is necessary and sufficient for maximization of MI under some conditions. Thus, contrastive learning related to density ratio estimation as done in popular objective functions can be interpreted as maximizing MI. Next, with the density ratio, we establish new recovery conditions for the latent source components in nonlinear independent component analysis (ICA). In contrast with existing work, the established conditions include a novel insight for the dimensionality of data, which is clearly supported by numerical experiments. Furthermore, inspired by nonlinear ICA, we propose a novel framework to estimate a nonlinear subspace for lower-dimensional latent source components, and some theoretical conditions for the subspace estimation are established with the density ratio. Then, we propose a practical method through outlier-robust density ratio estimation, which can be seen as performing maximization of MI, nonlinear ICA or nonlinear subspace estimation. Moreover, a sample-efficient nonlinear ICA method is also proposed. We theoretically investigate outlier-robustness of the proposed methods. Finally, the usefulness of the proposed methods is numerically demonstrated in nonlinear ICA and through application to linear classification.

Learning representations of nodes in a low dimensional space is a crucial task with numerous interesting applications in network analysis, including link prediction, node classification, and visualization. Two popular approaches for this problem are matrix factorization and random walk-based models. In this paper, we aim to bring together the best of both worlds, towards learning node representations. In particular, we propose a weighted matrix factorization model that encodes random walk-based information about nodes of the network. The benefit of this novel formulation is that it enables us to utilize kernel functions without realizing the exact proximity matrix so that it enhances the expressiveness of existing matrix decomposition methods with kernels and alleviates their computational complexities. We extend the approach with a multiple kernel learning formulation that provides the flexibility of learning the kernel as the linear combination of a dictionary of kernels in data-driven fashion. We perform an empirical evaluation on real-world networks, showing that the proposed model outperforms baseline node embedding algorithms in downstream machine learning tasks.

Recent years have seen the emergence of pre-trained representations as a powerful abstraction for AI applications in computer vision, natural language, and speech. However, policy learning for control is still dominated by a tabula-rasa learning paradigm, with visuo-motor policies often trained from scratch using data from deployment environments. In this context, we revisit and study the role of pre-trained visual representations for control, and in particular representations trained on large-scale computer vision datasets. Through extensive empirical evaluation in diverse control domains (Habitat, DeepMind Control, Adroit, Franka Kitchen), we isolate and study the importance of different representation training methods, data augmentations, and feature hierarchies. Overall, we find that pre-trained visual representations can be competitive or even better than ground-truth state representations to train control policies. This is in spite of using only out-of-domain data from standard vision datasets, without any in-domain data from the deployment environments. Source code and more at https://sites.google.com/view/pvr-control.

Catching and attributing code change-induced performance regressions in production is hard; predicting them beforehand, even harder. A primer on automatically learning to predict performance regressions in software, this article gives an account of the experiences we gained when researching and deploying an ML-based regression prediction pipeline at Meta. In this paper, we report on a comparative study with four ML models of increasing complexity, from (1) code-opaque, over (2) Bag of Words, (3) off-the-shelve Transformer-based, to (4) a bespoke Transformer-based model, coined SuperPerforator. Our investigation shows the inherent difficulty of the performance prediction problem, which is characterized by a large imbalance of benign onto regressing changes. Our results also call into question the general applicability of Transformer-based architectures for performance prediction: an off-the-shelve CodeBERT-based approach had surprisingly poor performance; our highly customized SuperPerforator architecture initially achieved prediction performance that was just on par with simpler Bag of Words models, and only outperformed them for down-stream use cases. This ability of SuperPerforator to transfer to an application with few learning examples afforded an opportunity to deploy it in practice at Meta: it can act as a pre-filter to sort out changes that are unlikely to introduce a regression, truncating the space of changes to search a regression in by up to 43%, a 45x improvement over a random baseline. To gain further insight into SuperPerforator, we explored it via a series of experiments computing counterfactual explanations. These highlight which parts of a code change the model deems important, thereby validating the learned black-box model.  ( 3 min )

DBSCAN is widely used in many scientific and engineering fields because of its simplicity and practicality. However, due to its high sensitivity parameters, the accuracy of the clustering result depends heavily on practical experience. In this paper, we first propose a novel Deep Reinforcement Learning guided automatic DBSCAN parameters search framework, namely DRL-DBSCAN. The framework models the process of adjusting the parameter search direction by perceiving the clustering environment as a Markov decision process, which aims to find the best clustering parameters without manual assistance. DRL-DBSCAN learns the optimal clustering parameter search policy for different feature distributions via interacting with the clusters, using a weakly-supervised reward training policy network. In addition, we also present a recursive search mechanism driven by the scale of the data to efficiently and controllably process large parameter spaces. Extensive experiments are conducted on five artificial and real-world datasets based on the proposed four working modes. The results of offline and online tasks show that the DRL-DBSCAN not only consistently improves DBSCAN clustering accuracy by up to 26% and 25% respectively, but also can stably find the dominant parameters with high computational efficiency. The code is available at https://github.com/RingBDStack/DRL-DBSCAN.  ( 2 min )

We introduce NeuralVDB, which improves on an existing industry standard for efficient storage of sparse volumetric data, denoted VDB, by leveraging recent advancements in machine learning. Our novel hybrid data structure can reduce the memory footprints of VDB volumes by orders of magnitude, while maintaining its flexibility and only incurring a small (user-controlled) compression errors. Specifically, NeuralVDB replaces the lower nodes of a shallow and wide VDB tree structure with multiple hierarchy neural networks that separately encode topology and value information by means of neural classifiers and regressors respectively. This approach has proven to maximize the compression ratio while maintaining the spatial adaptivity offered by the higher-level VDB data structure. For sparse signed distance fields and density volumes, we have observed compression ratios on the order of $10\times$ to more than $100\times$ from already compressed VDB inputs, with little to no visual artifacts. We also demonstrate how its application to animated sparse volumes can both accelerate training and generate temporally coherent neural networks.  ( 2 min )

We propose a hierarchical reinforcement learning method, HIDIO, that can learn task-agnostic options in a self-supervised manner while jointly learning to utilize them to solve sparse-reward tasks. Unlike current hierarchical RL approaches that tend to formulate goal-reaching low-level tasks or pre-define ad hoc lower-level policies, HIDIO encourages lower-level option learning that is independent of the task at hand, requiring few assumptions or little knowledge about the task structure. These options are learned through an intrinsic entropy minimization objective conditioned on the option sub-trajectories. The learned options are diverse and task-agnostic. In experiments on sparse-reward robotic manipulation and navigation tasks, HIDIO achieves higher success rates with greater sample efficiency than regular RL baselines and two state-of-the-art hierarchical RL methods.

Malicious applications (particularly those targeting the Android platform) pose a serious threat to developers and end-users. Numerous research efforts have been devoted to developing effective approaches to defend against Android malware. However, given the explosive growth of Android malware and the continuous advancement of malicious evasion technologies like obfuscation and reflection, Android malware defense approaches based on manual rules or traditional machine learning may not be effective. In recent years, a dominant research field called deep learning (DL), which provides a powerful feature abstraction ability, has demonstrated a compelling and promising performance in a variety of areas, like natural language processing and computer vision. To this end, employing deep learning techniques to thwart Android malware attacks has recently garnered considerable research attention. Yet, no systematic literature review focusing on deep learning approaches for Android Malware defenses exists. In this paper, we conducted a systematic literature review to search and analyze how deep learning approaches have been applied in the context of malware defenses in the Android environment. As a result, a total of 132 studies covering the period 2014-2021 were identified. Our investigation reveals that, while the majority of these sources mainly consider DL-based on Android malware detection, 53 primary studies (40.1 percent) design defense approaches based on other scenarios. This review also discusses research trends, research focuses, challenges, and future research directions in DL-based Android malware defenses.

Neural networks are universal function approximators which are known to generalize well despite being dramatically overparameterized. We study this phenomenon from the point of view of the spectral bias of neural networks. Our contributions are two-fold. First, we provide a theoretical explanation for the spectral bias of ReLU neural networks by leveraging connections with the theory of finite element methods. Second, based upon this theory we predict that switching the activation function to a piecewise linear B-spline, namely the Hat function, will remove this spectral bias, which we verify empirically in a variety of settings. Our empirical studies also show that neural networks with the Hat activation function are trained significantly faster using stochastic gradient descent and ADAM. Combined with previous work showing that the Hat activation function also improves generalization accuracy on image classification tasks, this indicates that using the Hat activation provides significant advantages over the ReLU on certain problems.

In supervised learning, obtaining a large set of fully-labeled training data is expensive. We show that we do not always need full label information on every single training example to train a competent classifier. Specifically, inspired by the principle of sufficiency in statistics, we present a statistic (a summary) of the fully-labeled training set that captures almost all the relevant information for classification but at the same time is easier to obtain directly. We call this statistic "sufficiently-labeled data" and prove its sufficiency and efficiency for finding the optimal hidden representations, on which competent classifier heads can be trained using as few as a single randomly-chosen fully-labeled example per class. Sufficiently-labeled data can be obtained from annotators directly without collecting the fully-labeled data first. And we prove that it is easier to directly obtain sufficiently-labeled data than obtaining fully-labeled data. Furthermore, sufficiently-labeled data is naturally more secure since it stores relative, instead of absolute, information. Extensive experimental results are provided to support our theory.

Finding the optimal hyperparameters of a model can be cast as a bilevel optimization problem, typically solved using zero-order techniques. In this work we study first-order methods when the inner optimization problem is convex but non-smooth. We show that the forward-mode differentiation of proximal gradient descent and proximal coordinate descent yield sequences of Jacobians converging toward the exact Jacobian. Using implicit differentiation, we show it is possible to leverage the non-smoothness of the inner problem to speed up the computation. Finally, we provide a bound on the error made on the hypergradient when the inner optimization problem is solved approximately. Results on regression and classification problems reveal computational benefits for hyperparameter optimization, especially when multiple hyperparameters are required.

Deep-unfolding neural networks (NNs) have received great attention since they achieve satisfactory performance with relatively low complexity. Typically, these deep-unfolding NNs are restricted to a fixed-depth for all inputs. However, the optimal number of layers required for convergence changes with different inputs. In this paper, we first develop a framework of deep deterministic policy gradient (DDPG)-driven deep-unfolding with adaptive depth for different inputs, where the trainable parameters of deep-unfolding NN are learned by DDPG, rather than updated by the stochastic gradient descent algorithm directly. Specifically, the optimization variables, trainable parameters, and architecture of deep-unfolding NN are designed as the state, action, and state transition of DDPG, respectively. Then, this framework is employed to deal with the channel estimation problem in massive multiple-input multiple-output systems. Specifically, first of all we formulate the channel estimation problem with an off-grid basis and develop a sparse Bayesian learning (SBL)-based algorithm to solve it. Secondly, the SBL-based algorithm is unfolded into a layer-wise structure with a set of introduced trainable parameters. Thirdly, the proposed DDPG-driven deep-unfolding framework is employed to solve this channel estimation problem based on the unfolded structure of the SBL-based algorithm. To realize adaptive depth, we design the halting score to indicate when to stop, which is a function of the channel reconstruction error. Furthermore, the proposed framework is extended to realize the adaptive depth of the general deep neural networks (DNNs). Simulation results show that the proposed algorithm outperforms the conventional optimization algorithms and DNNs with fixed depth with much reduced number of layers.

A vast amount of data is created every minute, both in the private sector and industry. Whereas it is often easy to get hold of data in the private entertainment sector, in the industrial production environment it is much more difficult due to laws, preservation of intellectual property, and other factors. However, most machine learning methods require a data source that is sufficient in terms of quantity and quality. A suitable way to bring both requirements together is federated learning where learning progress is aggregated, but everyone remains the owner of their data. Federate learning was first proposed by Google researchers in 2016 and is used for example in the improvement of Google's keyboard Gboard. In contrast to billions of android users, comparable machinery is only used by few companies. This paper examines which other constraints prevail in production and which federated learning approaches can be considered as a result.  ( 2 min )

This work uses the entropy-regularised relaxed stochastic control perspective as a principled framework for designing reinforcement learning (RL) algorithms. Herein agent interacts with the environment by generating noisy controls distributed according to the optimal relaxed policy. The noisy policies on the one hand, explore the space and hence facilitate learning but, on the other hand, introduce bias by assigning a positive probability to non-optimal actions. This exploration-exploitation trade-off is determined by the strength of entropy regularisation. We study algorithms resulting from two entropy regularisation formulations: the exploratory control approach, where entropy is added to the cost objective, and the proximal policy update approach, where entropy penalises the divergence of policies between two consecutive episodes. We analyse the finite horizon continuous-time linear-quadratic (LQ) RL problem for which both algorithms yield a Gaussian relaxed policy. We quantify the precise difference between the value functions of a Gaussian policy and its noisy evaluation and show that the execution noise must be independent across time. By tuning the frequency of sampling from relaxed policies and the parameter governing the strength of entropy regularisation, we prove that the regret, for both learning algorithms, is of the order $\mathcal{O}(\sqrt{N}) $ (up to a logarithmic factor) over $N$ episodes, matching the best known result from the literature.  ( 3 min )

Convolutional Neural Networks (CNNs) reach high accuracies in various application domains, but require large amounts of computation and incur costly data movements. One method to decrease these costs while trading accuracy is weight and/or activation word-length reduction. Thereby, layer-wise mixed-precision quantization allows for more efficient results while inflating the design space. In this work, we present an in-depth quantitative methodology to efficiently explore the design space considering the limited hardware resources of a given FPGA. Our holistic exploration approach vertically traverses the various design entry levels from the architectural down to the logic level, and laterally covers optimization from processing elements to dataflow for an efficient mixed-precision CNN accelerator. Our resulting hardware accelerators implement truly mixed-precision operations that enable efficient execution of layer-wise and channel-wise quantized CNNs. Mapping feed-forward and identity-shortcut-connection mixed-precision CNNs result in competitive accuracy-throughout trade-offs: 245 frames/s with 87.48% Top-5 accuracy for ResNet-18 and 92.9% Top-5 accuracy with 1.13 TOps/s for ResNet-152, respectively. Thereby, the required memory footprint for parameters is reduced by 4.9x and 9.4x compared to the respective floating-point baseline.

Learning a control policy that involves time-varying and evolving system dynamics often poses a great challenge to mainstream reinforcement learning algorithms. In most standard methods, actions are often assumed to be a rigid, fixed set of choices that are sequentially applied to the state space in a predefined manner. Consequently, without resorting to substantial re-learning processes, the learned policy lacks the ability in adapting to variations in the action set and the action's "behavioral" outcomes. In addition, the standard action representation and the action-induced state transition mechanism inherently limit how reinforcement learning can be applied in complex, real-world applications primarily due to the intractability of the resulting large state space and the lack of facility to generalize the learned policy to the unknown part of the state space. This paper proposes a Bayesian-flavored generalized reinforcement learning framework by first establishing the notion of parametric action model to better cope with uncertainty and fluid action behaviors, followed by introducing the notion of reinforcement field as a physics-inspired construct established through "polarized experience particles" maintained in the learning agent's working memory. These particles effectively encode the dynamic learning experience that evolves over time in a self-organizing way. On top of the reinforcement field, we will further generalize the policy learning process to incorporate high-level decision concepts by considering the past memory as having an implicit graph structure, in which the past memory instances (or particles) are interconnected with similarity between decisions defined, and thereby, the "associative memory" principle can be applied to augment the learning agent's world model.

We investigate the use of a certain class of functional inequalities known as weak Poincar\'e inequalities to bound convergence of Markov chains to equilibrium. We show that this enables the straightforward and transparent derivation of subgeometric convergence bounds for methods such as the Independent Metropolis--Hastings sampler and pseudo-marginal methods for intractable likelihoods, the latter being subgeometric in many practical settings. These results rely on novel quantitative comparison theorems between Markov chains. Associated proofs are simpler than those relying on drift/minorization conditions and the tools developed allow us to recover and further extend known results as particular cases. We are then able to provide new insights into the practical use of pseudo-marginal algorithms, analyse the effect of averaging in Approximate Bayesian Computation (ABC) and the use of products of independent averages, and also to study the case of lognormal weights relevant to particle marginal Metropolis--Hastings (PMMH).

Adaptive learning aims to stimulate and meet the needs of individual learners, which requires sophisticated system-level coordination of diverse tasks, including modeling learning resources, estimating student states, and making personalized recommendations. Existing deep learning methods have achieved great success over statistical models; however, they still lack generalization for diverse tasks and suffer from insufficient capacity since they are composed of highly-coupled task-specific architectures and rely on small-scale, coarse-grained recommendation scenarios. To realize the idea of general adaptive systems proposed in pedagogical theory, with the emerging pre-training techniques in NLP, we try to conduct a practical exploration on applying pre-training to adaptive learning, to propose a unified framework based on data observation and learning style analysis, properly leveraging heterogeneous learning elements. Through a series of downstream tasks of Learning Recommendation, Learning Resource Evaluation, Knowledge Tracing, and Dropout Prediction, we find that course structures, text, and knowledge are helpful for modeling and inherently coherent to student non-sequential learning behaviors and that indirectly relevant information included in the pre-training foundation can be shared across downstream tasks to facilitate effectiveness. We finally build a simplified systematic application of adaptive learning and reflect on the insights brought back to pedagogy. The source code and dataset will be released.

Traffic simulation has gained a lot of interest for quantitative evaluation of self driving vehicles performance. In order for a simulator to be a valuable test bench, it is required that the driving policy animating each traffic agent in the scene acts as humans would do while maintaining minimal safety guarantees. Learning the driving policies of traffic agents from recorded human driving data or through reinforcement learning seems to be an attractive solution for the generation of realistic and highly interactive traffic situations in uncontrolled intersections or roundabouts. In this work, we show that a trade-off exists between imitating human driving and maintaining safety when learning driving policies. We do this by comparing how various Imitation learning and Reinforcement learning algorithms perform when applied to the driving task. We also propose a multi objective learning algorithm (MOPPO) that improves both objectives together. We test our driving policies on highly interactive driving scenarios extracted from INTERACTION Dataset to evaluate how human-like they behave.

Currently, data-driven discovery in biological sciences resides in finding segmentation strategies in multivariate data that produce sensible descriptions of the data. Clustering is but one of several approaches and sometimes falls short because of difficulties in assessing reasonable cutoffs, the number of clusters that need to be formed or that an approach fails to preserve topological properties of the original system in its clustered form. In this work, we show how a simple metric for connectivity clustering evaluation leads to an optimised segmentation of biological data. The novelty of the work resides in the creation of a simple optimisation method for clustering crowded data. The resulting clustering approach only relies on metrics derived from the inherent properties of the clustering. The new method facilitates knowledge for optimised clustering, which is easy to implement. We discuss how the clustering optimisation strategy corresponds to the viable information content yielded by the final segmentation. We further elaborate on how the clustering results, in the optimal solution, corresponds to prior knowledge of three different data sets.

This tutorial paper surveys provably optimal alternatives to end-to-end backpropagation (E2EBP) -- the de facto standard for training deep architectures. Modular training refers to strictly local training without both the forward and the backward pass, i.e., dividing a deep architecture into several nonoverlapping modules and training them separately without any end-to-end operation. Between the fully global E2EBP and the strictly local modular training, there are weakly modular hybrids performing training without the backward pass only. These alternatives can match or surpass the performance of E2EBP on challenging datasets such as ImageNet, and are gaining increasing attention primarily because they offer practical advantages over E2EBP, which will be enumerated herein. In particular, they allow for greater modularity and transparency in deep learning workflows, aligning deep learning with the mainstream computer science engineering that heavily exploits modularization for scalability. Modular training has also revealed novel insights about learning and has further implications on other important research domains. Specifically, it induces natural and effective solutions to some important practical problems such as data efficiency and transferability estimation.

This response to the RFI considers the potential for biometrics to help or harm disabled people2. Biometrics are already integrated into many aspects of daily life, from airport travel to mobile phone use. Yet many of these systems are not accessible to people who experience different kinds of disability exclusion . Different personal characteristics may impact any or all of the physical (DNA, fingerprints, face or retina) and behavioral (gesture, gait, voice) characteristics listed in the RFI as examples of biometric signals.

Fatal diseases, as Critical Health Episodes (CHEs), represent real dangers for patients hospitalized in Intensive Care Units. These episodes can lead to irreversible organ damage and death. Nevertheless, diagnosing them in time would greatly reduce their inconvenience. This study therefore focused on building a highly effective early warning system for CHEs such as Acute Hypotensive Episodes and Tachycardia Episodes. To facilitate the precocity of the prediction, a gap of one hour was considered between the observation periods (Observation Windows) and the periods during which a critical event can occur (Target Windows). The MIMIC II dataset was used to evaluate the performance of the proposed system. This system first includes extracting additional features using three different modes. Then, the feature selection process allowing the selection of the most relevant features was performed using the Mutual Information Gain feature importance. Finally, the high-performance predictive model LightGBM was used to perform episode classification. This approach called MIG-LightGBM was evaluated using five different metrics: Event Recall (ER), Reduced Precision (RP), average Anticipation Time (aveAT), average False Alarms (aveFA), and Event F1-score (EF1-score). A method is therefore considered highly efficient for the early prediction of CHEs if it exhibits not only a large aveAT but also a large EF1-score and a low aveFA. Compared to systems using Extreme Gradient Boosting, Support Vector Classification or Naive Bayes as a predictive model, the proposed system was found to be highly dominant. It also confirmed its superiority over the Layered Learning approach.

Optimizing management practices and selecting the best cultivar for planting play a significant role in increasing agricultural food production and decreasing environmental footprint. In this study, we develop optimization frameworks under uncertainty using conditional value-at-risk in the stochastic programming objective function. We integrate the crop model, APSIM, and a parallel Bayesian optimization algorithm to optimize the management practices and select the best cultivar at different levels of risk aversion. This approach integrates the power of optimization in determining the best decisions and crop model in simulating nature's output corresponding to various decisions. As a case study, we set up the crop model for 25 locations across the US Corn Belt. We optimized the management options (planting date, N fertilizer amount, fertilizing date, and plant density in the farm) and cultivar options (cultivars with different maturity days) three times: a) before, b) at planting and c) after a growing season with known weather. Results indicated that the proposed model produced meaningful connections between weather and optima decisions. Also, we found risk-tolerance farmers get more expected yield than risk-averse ones in wet and non-wet weathers.

The discovery of drug-target interactions (DTIs) is a very promising area of research with great potential. The accurate identification of reliable interactions among drugs and proteins via computational methods, which typically leverage heterogeneous information retrieved from diverse data sources, can boost the development of effective pharmaceuticals. Although random walk and matrix factorization techniques are widely used in DTI prediction, they have several limitations. Random walk-based embedding generation is usually conducted in an unsupervised manner, while the linear similarity combination in matrix factorization distorts individual insights offered by different views. To tackle these issues, we take a multi-layered network approach to handle diverse drug and target similarities, and propose a novel optimization framework, called Multiple similarity DeepWalk-based Matrix Factorization (MDMF), for DTI prediction. The framework unifies embedding generation and interaction prediction, learning vector representations of drugs and targets that not only retain higher-order proximity across all hyper-layers and layer-specific local invariance, but also approximate the interactions with their inner product. Furthermore, we develop an ensemble method (MDMF2A) that integrates two instantiations of the MDMF model, optimizing the area under the precision-recall curve (AUPR) and the area under the receiver operating characteristic curve (AUC) respectively. The empirical study on real-world DTI datasets shows that our method achieves statistically significant improvement over current state-of-the-art approaches in four different settings. Moreover, the validation of highly ranked non-interacting pairs also demonstrates the potential of MDMF2A to discover novel DTIs.

Prediction models can exhibit sensitivity with respect to training data: small changes in the training data can produce models that assign conflicting predictions to individual data points during test time. In this work, we study this sensitivity in recommender systems, where users' recommendations are drastically altered by minor perturbations in other unrelated users' interactions. We introduce a measure of stability for recommender systems, called Rank List Sensitivity (RLS), which measures how rank lists generated by a given recommender system at test time change as a result of a perturbation in the training data. We develop a method, CASPER, which uses cascading effect to identify the minimal and systematical perturbation to induce higher instability in a recommender system. Experiments on four datasets show that recommender models are overly sensitive to minor perturbations introduced randomly or via CASPER - even perturbing one random interaction of one user drastically changes the recommendation lists of all users. Importantly, with CASPER perturbation, the models generate more unstable recommendations for low-accuracy users (i.e., those who receive low-quality recommendations) than high-accuracy ones.

We study how the learning rate affects the performance of a relaxed randomized Kaczmarz algorithm for solving $A x \approx b + \varepsilon$, where $A x =b$ is a consistent linear system and $\varepsilon$ has independent mean zero random entries. We derive a learning rate schedule which optimizes a bound on the expected error that is sharp in certain cases; in contrast to the exponential convergence of the standard randomized Kaczmarz algorithm, our optimized bound involves the reciprocal of the Lambert-$W$ function of an exponential.

Federated learning (FL) is a newly emerged branch of AI that facilitates edge devices to collaboratively train a global machine learning model without centralizing data and with privacy by default. However, despite the remarkable advancement, this paradigm comes with various challenges. Specifically, in large-scale deployments, client heterogeneity is the norm which impacts training quality such as accuracy, fairness, and time. Moreover, energy consumption across these battery-constrained devices is largely unexplored and a limitation for wide-adoption of FL. To address this issue, we develop EAFL, an energy-aware FL selection method that considers energy consumption to maximize the participation of heterogeneous target devices. \scheme is a power-aware training algorithm that cherry-picks clients with higher battery levels in conjunction with its ability to maximize the system efficiency. Our design jointly minimizes the time-to-accuracy and maximizes the remaining on-device battery levels. \scheme improves the testing model accuracy by up to 85\% and decreases the drop-out of clients by up to 2.45$\times$.  ( 2 min )

In this work, we propose Reciprocal Distribution Alignment (RDA) to address semi-supervised learning (SSL), which is a hyperparameter-free framework that is independent of confidence threshold and works with both the matched (conventionally) and the mismatched class distributions. Distribution mismatch is an often overlooked but more general SSL scenario where the labeled and the unlabeled data do not fall into the identical class distribution. This may lead to the model not exploiting the labeled data reliably and drastically degrade the performance of SSL methods, which could not be rescued by the traditional distribution alignment. In RDA, we enforce a reciprocal alignment on the distributions of the predictions from two classifiers predicting pseudo-labels and complementary labels on the unlabeled data. These two distributions, carrying complementary information, could be utilized to regularize each other without any prior of class distribution. Moreover, we theoretically show that RDA maximizes the input-output mutual information. Our approach achieves promising performance in SSL under a variety of scenarios of mismatched distributions, as well as the conventional matched SSL setting. Our code is available at: https://github.com/NJUyued/RDA4RobustSSL.

In healthcare, detecting stress and enabling individuals to monitor their mental health and wellbeing is challenging. Advancements in wearable technology now enable continuous physiological data collection. This data can provide insights into mental health and behavioural states through psychophysiological analysis. However, automated analysis is required to provide timely results due to the quantity of data collected. Machine learning has shown efficacy in providing an automated classification of physiological data for health applications in controlled laboratory environments. Ambulatory uncontrolled environments, however, provide additional challenges requiring further modelling to overcome. This work empirically assesses several approaches utilising machine learning classifiers to detect stress using physiological data recorded in an ambulatory setting with self-reported stress annotations. A subset of the training portion SMILE dataset enables the evaluation of approaches before submission. The optimal stress detection approach achieves 90.77% classification accuracy, 91.24 F1-Score, 90.42 Sensitivity and 91.08 Specificity, utilising an ExtraTrees classifier and feature imputation methods. Meanwhile, accuracy on the challenge data is much lower at 59.23% (submission #54 from BEaTS-MTU, username ZacDair). The cause of the performance disparity is explored in this work.

Despite the recent progress in deep learning and reinforcement learning, transfer and generalization of skills learned on specific tasks is very limited compared to human (or animal) intelligence. The lifelong, incremental building of common sense knowledge might be a necessary component on the way to achieve more general intelligence. A promising direction is to build world models capturing the true physical mechanisms hidden behind the sensorimotor interaction with the environment. Here we explore the idea that inferring the causal structure of the environment could benefit from well-chosen actions as means to collect relevant interventional data.

Large-scale undirected weighted networks are usually found in big data-related research fields. It can naturally be quantified as a symmetric high-dimensional and incomplete (SHDI) matrix for implementing big data analysis tasks. A symmetric non-negative latent-factor-analysis (SNL) model is able to efficiently extract latent factors (LFs) from an SHDI matrix. Yet it relies on a constraint-combination training scheme, which makes it lack flexibility. To address this issue, this paper proposes an unconstrained symmetric nonnegative latent-factor-analysis (USNL) model. Its main idea is two-fold: 1) The output LFs are separated from the decision parameters via integrating a nonnegative mapping function into an SNL model; and 2) Stochastic gradient descent (SGD) is adopted for implementing unconstrained model training along with ensuring the output LFs nonnegativity. Empirical studies on four SHDI matrices generated from real big data applications demonstrate that an USNL model achieves higher prediction accuracy of missing data than an SNL model, as well as highly competitive computational efficiency.

Node classification utilizing text-based node attributes has many real-world applications, ranging from prediction of paper topics in academic citation graphs to classification of user characteristics in social media networks. State-of-the-art node classification frameworks, such as GIANT, use a two-stage pipeline: first embedding the text attributes of graph nodes then feeding the resulting embeddings into a node classification model. In this paper, we eliminate these two stages and instead develop an end-to-end node classification model that builds upon GIANT, called End-to-End-GIANT (E2EG). The tandem utilization of a main and an auxiliary classification objectives in our approach results in a more robust model, thus enabling the BERT backbone to be switched out for a distilled encoder with a 25% - 40% reduction in the number of parameters. Moreover, the end-to-end nature of the model increases ease of use, as it avoids the need of chaining multiple models for node classification. Compared to a GIANT+MLP baseline on the ogbn-arxiv and ogbn-products datasets, our model is able to obtain slightly better accuracy in the transductive setting (+0.5%), while reducing model training time by up to 40%. Our model is also applicable in the inductive setting, outperforming GIANT+MLP by up to +2.23%.

In this paper, we present an energy-efficient SNN architecture, which can seamlessly run deep spiking neural networks (SNNs) with improved accuracy. First, we propose a conversion aware training (CAT) to reduce ANN-to-SNN conversion loss without hardware implementation overhead. In the proposed CAT, the activation function developed for simulating SNN during ANN training, is efficiently exploited to reduce the data representation error after conversion. Based on the CAT technique, we also present a time-to-first-spike coding that allows lightweight logarithmic computation by utilizing spike time information. The SNN processor design that supports the proposed techniques has been implemented using 28nm CMOS process. The processor achieves the top-1 accuracies of 91.7%, 67.9% and 57.4% with inference energy of 486.7uJ, 503.6uJ, and 1426uJ to process CIFAR-10, CIFAR-100, and Tiny-ImageNet, respectively, when running VGG-16 with 5bit logarithmic weights.

Explainable artificial intelligence (XAI) seeks to produce explanations for those machine learning methods which are deemed opaque. However, there is considerable disagreement about what this means and how to achieve it. Authors disagree on what should be explained (topic), to whom something should be explained (stakeholder), how something should be explained (instrument), and why something should be explained (goal). In this paper, I employ insights from means-end epistemology to structure the field. According to means-end epistemology, different means ought to be rationally adopted to achieve different epistemic ends. Applied to XAI, different topics, stakeholders, and goals thus require different instruments. I call this the means-end account of XAI. The means-end account has a descriptive and a normative component: on the one hand, I show how the specific means-end relations give rise to a taxonomy of existing contributions to the field of XAI; on the other hand, I argue that the suitability of XAI methods can be assessed by analyzing whether they are prescribed by a given topic, stakeholder, and goal.

Although principles of neuroscience like reinforcement learning, visual perception and attention have been applied in machine learning models, there is a huge gap between machine learning and mammalian learning. Based on the advances in neuroscience, we propose the context sequence theory to give a common explanation for multiple types of learning in mammals and hope that can provide a new insight into the construct of machine learning models.

One of the most contentious areas of research in Medical Image Preprocessing is 3D CT-scan. With the rapid spread of COVID-19, the function of CT-scan in properly and swiftly diagnosing the disease has become critical. It has a positive impact on infection prevention. There are many tasks to diagnose the illness through CT-scan images, include COVID-19. In this paper, we propose a method that using a Stacking Deep Neural Network to detect the Covid 19 through the series of 3D CT-scans images . In our method, we experiment with two backbones are DenseNet 121 and ResNet 101. This method achieves a competitive performance on some evaluation metrics

Exploiting gradient leakage to reconstruct supposedly private training data, gradient inversion attacks are an ubiquitous threat in collaborative learning of neural networks. To prevent gradient leakage without suffering from severe loss in model performance, recent work proposed a PRivacy EnhanCing mODulE (PRECODE) based on variational modeling as extension for arbitrary model architectures. In this work, we investigate the effect of PRECODE on gradient inversion attacks to reveal its underlying working principle. We show that variational modeling induces stochasticity on PRECODE's and its subsequent layers' gradients that prevents gradient attacks from convergence. By purposefully omitting those stochastic gradients during attack optimization, we formulate an attack that can disable PRECODE's privacy preserving effects. To ensure privacy preservation against such targeted attacks, we propose PRECODE with Partial Perturbation (PPP), as strategic combination of variational modeling and partial gradient perturbation. We conduct an extensive empirical study on four seminal model architectures and two image classification datasets. We find all architectures to be prone to gradient leakage, which can be prevented by PPP. In result, we show that our approach requires less gradient perturbation to effectively preserve privacy without harming model performance.

In the development of technology, there are increasing cases of brain disease, there are more treatments proposed and achieved a positive result. However, with Brain-Lesion, the early diagnoses can improve the possibility for successful treatment and can help patients recuperate better. From this reason, Brain-Lesion is one of the controversial topics in medical images analysis nowadays. With the improvement of the architecture, there is a variety of methods that are proposed and achieve competitive scores. In this paper, we proposed a technique that uses efficient-net for 3D images, especially the Efficient-net B0 for Brain-Lesion classification task solution, and achieve the competitive score. Moreover, we also proposed the method to use Multiscale-EfficientNet to classify the slices of the MRI data

This paper presents an open-source Python toolbox called Ensemble Feature Importance (EFI) to provide machine learning (ML) researchers, domain experts, and decision makers with robust and accurate feature importance quantification and more reliable mechanistic interpretation of feature importance for prediction problems using fuzzy sets. The toolkit was developed to address uncertainties in feature importance quantification and lack of trustworthy feature importance interpretation due to the diverse availability of machine learning algorithms, feature importance calculation methods, and dataset dependencies. EFI merges results from multiple machine learning models with different feature importance calculation approaches using data bootstrapping and decision fusion techniques, such as mean, majority voting and fuzzy logic. The main attributes of the EFI toolbox are: (i) automatic optimisation of ML algorithms, (ii) automatic computation of a set of feature importance coefficients from optimised ML algorithms and feature importance calculation techniques, (iii) automatic aggregation of importance coefficients using multiple decision fusion techniques, and (iv) fuzzy membership functions that show the importance of each feature to the prediction task. The key modules and functions of the toolbox are described, and a simple example of their application is presented using the popular Iris dataset.  ( 2 min )

Estimating long-term causal effects based on short-term surrogates is a significant but challenging problem in many real-world applications, e.g., marketing and medicine. Despite its success in certain domains, most existing methods estimate causal effects in an idealistic and simplistic way - ignoring the causal structure among short-term outcomes and treating all of them as surrogates. However, such methods cannot be well applied to real-world scenarios, in which the partially observed surrogates are mixed with their proxies among short-term outcomes. To this end, we develop our flexible method, Laser, to estimate long-term causal effects in the more realistic situation that the surrogates are observed or have observed proxies.Given the indistinguishability between the surrogates and proxies, we utilize identifiable variational auto-encoder (iVAE) to recover the whole valid surrogates on all the surrogates candidates without the need of distinguishing the observed surrogates or the proxies of latent surrogates. With the help of the recovered surrogates, we further devise an unbiased estimation of long-term causal effects. Extensive experimental results on the real-world and semi-synthetic datasets demonstrate the effectiveness of our proposed method.

Speaker localization using microphone arrays depends on accurate time delay estimation techniques. For decades, methods based on the generalized cross correlation with phase transform (GCC-PHAT) have been widely adopted for this purpose. Recently, the GCC-PHAT has also been used to provide input features to neural networks in order to remove the effects of noise and reverberation, but at the cost of losing theoretical guarantees in noise-free conditions. We propose a novel approach to extending the GCC-PHAT, where the received signals are filtered using a shift equivariant neural network that preserves the timing information contained in the signals. By extensive experiments we show that our model consistently reduces the error of the GCC-PHAT in adverse environments, with guarantees of exact time delay recovery in ideal conditions.

With deep learning (DL) outperforming conventional methods for different tasks, much effort has been devoted to utilizing DL in various domains. Researchers and developers in the traffic domain have also designed and improved DL models for forecasting tasks such as estimation of traffic speed and time of arrival. However, there exist many challenges in analyzing DL models due to the black-box property of DL models and complexity of traffic data (i.e., spatio-temporal dependencies). Collaborating with domain experts, we design a visual analytics system, AttnAnalyzer, that enables users to explore how DL models make predictions by allowing effective spatio-temporal dependency analysis. The system incorporates dynamic time warping (DTW) and Granger causality tests for computational spatio-temporal dependency analysis while providing map, table, line chart, and pixel views to assist user to perform dependency and model behavior analysis. For the evaluation, we present three case studies showing how AttnAnalyzer can effectively explore model behaviors and improve model performance in two different road networks. We also provide domain expert feedback.  ( 2 min )

Independent component analysis is an unsupervised learning approach for computing the independent components (ICs) from the multivariate signals or data matrix. The ICs are evaluated based on the multiplication of the weight matrix with the multivariate data matrix. This study proposes a novel memristor crossbar array for the implementation of both ACY ICA and Fast ICA for blind source separation. The data input was applied in the form of pulse width modulated voltages to the crossbar array and the weight of the implemented neural network is stored in the memristor. The output charges from the memristor columns are used to calculate the weight update, which is executed through the voltages kept higher than the memristor Set/Reset voltages. In order to demonstrate its potential application, the proposed memristor crossbar arrays based fast ICA architecture is employed for image source separation problem. The experimental results demonstrate that the proposed approach is very effective to separate image sources, and also the contrast of the images are improved with an improvement factor in terms of percentage of structural similarity as 67.27% when compared with the software-based implementation of conventional ACY ICA and Fast ICA algorithms.  ( 3 min )

We present an end-to-end model using streaming physiological time series to accurately predict near-term risk for hypoxemia, a rare, but life-threatening condition known to cause serious patient harm during surgery. Inspired by the fact that a hypoxemia event is defined based on the sequence of future-observed low SpO2 (i.e., blood oxygen saturation) instances, our proposed model makes hybrid inference on both future low SpO2 instances and hypoxemia outcomes, enabled by a joint sequence autoencoder that simultaneously optimizes a discriminative decoder for label prediction, and two auxiliary decoders trained for data reconstruction and forecast, which seamlessly learns contextual latent representations that capture the transition between present state to future state. All decoders share a memory-based encoder that helps capture the global dynamics of patient measurement. For a large surgical cohort of 72,081 surgeries at a major academic medical center, our model outperforms all baselines including the model used by the state-of-the-art hypoxemia prediction system. Being able to make minute-resolution real-time prediction with clinically acceptable alarm rate to near-term hypoxemic events, particularly the more critical persistent hypoxemia, our proposed model is promising in improving clinical decision making and easing burden on perioperative care.

Due to the current COVID-19 virus, which has already been declared a pandemic by the World Health Organization (WHO), we are witnessing the greatest pandemic of the decade. Millions of people are being infected, resulting in thousands of deaths every day across the globe. Even it was difficult for the best healthcare-providing countries could not handle the pandemic because of the strain of treating thousands of patients at a time. The count of infections and deaths is increasing at an alarming rate because of the spread of the virus. We believe that innovative technologies could help reduce pandemics to a certain extent until we find a definite solution from the medical field to handle and treat such pandemic situations. Technology innovation has the potential to introduce new technologies that could support people and society during these difficult times. Therefore, this paper proposes the idea of using drones as a companion to tackle current and future pandemics. Our COROID drone is based on the principle of crowdsourcing sensors data of the public's smart devices, which can correlate the reading of the infrared cameras equipped on the COROID drones. To the best of our knowledge, this concept has yet to be investigated either as a concept or as a product. Therefore, we believe that the COROID drone is innovative and has a huge potential to tackle COVID-19 and future pandemics.

This paper concerns pseudo labelling in segmentation. Our contribution is fourfold. Firstly, we present a new formulation of pseudo-labelling as an Expectation-Maximization (EM) algorithm for clear statistical interpretation. Secondly, we propose a semi-supervised medical image segmentation method purely based on the original pseudo labelling, namely SegPL. We demonstrate SegPL is a competitive approach against state-of-the-art consistency regularisation based methods on semi-supervised segmentation on a 2D multi-class MRI brain tumour segmentation task and a 3D binary CT lung vessel segmentation task. The simplicity of SegPL allows less computational cost comparing to prior methods. Thirdly, we demonstrate that the effectiveness of SegPL may originate from its robustness against out-of-distribution noises and adversarial attacks. Lastly, under the EM framework, we introduce a probabilistic generalisation of SegPL via variational inference, which learns a dynamic threshold for pseudo labelling during the training. We show that SegPL with variational inference can perform uncertainty estimation on par with the gold-standard method Deep Ensemble.  ( 2 min )

This work considers the task of representation learning on the attributed relational graph (ARG). Both the nodes and edges in an ARG are associated with attributes/features allowing ARGs to encode rich structural information widely observed in real applications. Existing graph neural networks offer limited ability to capture complex interactions within local structural contexts, which hinders them from taking advantage of the expression power of ARGs. We propose Motif Convolution Module (MCM), a new motif-based graph representation learning technique to better utilize local structural information. The ability to handle continuous edge and node features is one of MCM's advantages over existing motif-based models. MCM builds a motif vocabulary in an unsupervised way and deploys a novel motif convolution operation to extract the local structural context of individual nodes, which is then used to learn higher-level node representations via multilayer perceptron and/or message passing in graph neural networks. When compared with other graph learning approaches to classifying synthetic graphs, our approach is substantially better in capturing structural context. We also demonstrate the performance and explainability advantages of our approach by applying it to several molecular benchmarks.

This paper analyzes a popular loss function used in machine learning called the log-cosh loss function. A number of papers have been published using this loss function but, to date, no statistical analysis has been presented in the literature. In this paper, we present the distribution function from which the log-cosh loss arises. We compare it to a similar distribution, called the Cauchy distribution, and carry out various statistical procedures that characterize its properties. In particular, we examine its associated pdf, cdf, likelihood function and Fisher information. Side-by-side we consider the Cauchy and Cosh distributions as well as the MLE of the location parameter with asymptotic bias, asymptotic variance, and confidence intervals. We also provide a comparison of robust estimators from several other loss functions, including the Huber loss function and the rank dispersion function. Further, we examine the use of the log-cosh function for quantile regression. In particular, we identify a quantile distribution function from which a maximum likelihood estimator for quantile regression can be derived. Finally, we compare a quantile M-estimator based on log-cosh with robust monotonicity against another approach to quantile regression based on convolutional smoothing.

LAMDA-SSL is open-sourced on GitHub and its detailed usage documentation is available at https://ygzwqzd.github.io/LAMDA-SSL/. This documentation introduces LAMDA-SSL in detail from various aspects and can be divided into four parts. The first part introduces the design idea, features and functions of LAMDA-SSL. The second part shows the usage of LAMDA-SSL by abundant examples in detail. The third part introduces all algorithms implemented by LAMDA-SSL to help users quickly understand and choose SSL algorithms. The fourth part shows the APIs of LAMDA-SSL. This detailed documentation greatly reduces the cost of familiarizing users with LAMDA-SSL toolkit and SSL algorithms.

Vestibular Schwannoma (VS) typically grows from the inner ear to the brain. It can be separated into two regions, intrameatal and extrameatal respectively corresponding to being inside or outside the inner ear canal. The growth of the extrameatal regions is a key factor that determines the disease management followed by the clinicians. In this work, a VS segmentation approach with subdivision into intra-/extra-meatal parts is presented. We annotated a dataset consisting of 227 T2 MRI instances, acquired longitudinally on 137 patients, excluding post-operative instances. We propose a staged approach, with the first stage performing the whole tumour segmentation and the second stage performing the intra-/extra-meatal segmentation using the T2 MRI along with the mask obtained from the first stage. To improve on the accuracy of the predicted meatal boundary, we introduce a task-specific loss which we call Boundary Distance Loss. The performance is evaluated in contrast to the direct intrameatal extrameatal segmentation task performance, i.e. the Baseline. Our proposed method, with the two-stage approach and the Boundary Distance Loss, achieved a Dice score of 0.8279+-0.2050 and 0.7744+-0.1352 for extrameatal and intrameatal regions respectively, significantly improving over the Baseline, which gave Dice score of 0.7939+-0.2325 and 0.7475+-0.1346 for the extrameatal and intrameatal regions respectively.

Image representation is critical for many visual tasks. Instead of representing images discretely with 2D arrays of pixels, a recent study, namely local implicit image function (LIIF), denotes images as a continuous function where pixel values are expansion by using the corresponding coordinates as inputs. Due to its continuous nature, LIIF can be adopted for arbitrary-scale image super-resolution tasks, resulting in a single effective and efficient model for various up-scaling factors. However, LIIF often suffers from structural distortions and ringing artifacts around edges, mostly because all pixels share the same model, thus ignoring the local properties of the image. In this paper, we propose a novel adaptive local image function (A-LIIF) to alleviate this problem. Specifically, our A-LIIF consists of two main components: an encoder and a expansion network. The former captures cross-scale image features, while the latter models the continuous up-scaling function by a weighted combination of multiple local implicit image functions. Accordingly, our A-LIIF can reconstruct the high-frequency textures and structures more accurately. Experiments on multiple benchmark datasets verify the effectiveness of our method. Our codes are available at \url{https://github.com/LeeHW-THU/A-LIIF}.

The automated machine learning (AutoML) process can require searching through complex configuration spaces of not only machine learning (ML) components and their hyperparameters but also ways of composing them together, i.e. forming ML pipelines. Optimisation efficiency and the model accuracy attainable for a fixed time budget suffer if this pipeline configuration space is excessively large. A key research question is whether it is both possible and practical to preemptively avoid costly evaluations of poorly performing ML pipelines by leveraging their historical performance for various ML tasks, i.e. meta-knowledge. The previous experience comes in the form of classifier/regressor accuracy rankings derived from either (1) a substantial but non-exhaustive number of pipeline evaluations made during historical AutoML runs, i.e. 'opportunistic' meta-knowledge, or (2) comprehensive cross-validated evaluations of classifiers/regressors with default hyperparameters, i.e. 'systematic' meta-knowledge. Numerous experiments with the AutoWeka4MCPS package suggest that (1) opportunistic/systematic meta-knowledge can improve ML outcomes, typically in line with how relevant that meta-knowledge is, and (2) configuration-space culling is optimal when it is neither too conservative nor too radical. However, the utility and impact of meta-knowledge depend critically on numerous facets of its generation and exploitation, warranting extensive analysis; these are often overlooked/underappreciated within AutoML and meta-learning literature. In particular, we observe strong sensitivity to the `challenge' of a dataset, i.e. whether specificity in choosing a predictor leads to significantly better performance. Ultimately, identifying `difficult' datasets, thus defined, is crucial to both generating informative meta-knowledge bases and understanding optimal search-space reduction strategies.

We propose a multi-layer variational autoencoder method, we call HR-VQVAE, that learns hierarchical discrete representations of the data. By utilizing a novel objective function, each layer in HR-VQVAE learns a discrete representation of the residual from previous layers through a vector quantized encoder. Furthermore, the representations at each layer are hierarchically linked to those at previous layers. We evaluate our method on the tasks of image reconstruction and generation. Experimental results demonstrate that the discrete representations learned by HR-VQVAE enable the decoder to reconstruct high-quality images with less distortion than the baseline methods, namely VQVAE and VQVAE-2. HR-VQVAE can also generate high-quality and diverse images that outperform state-of-the-art generative models, providing further verification of the efficiency of the learned representations. The hierarchical nature of HR-VQVAE i) reduces the decoding search time, making the method particularly suitable for high-load tasks and ii) allows to increase the codebook size without incurring the codebook collapse problem.

Progress in automated microscopy and quantitative image analysis has promoted high-content screening (HCS) as an efficient drug discovery and research tool. While HCS offers to quantify complex cellular phenotypes from images at high throughput, this process can be obstructed by image aberrations such as out-of-focus image blur, fluorophore saturation, debris, a high level of noise, unexpected auto-fluorescence or empty images. While this issue has received moderate attention in the literature, overlooking these artefacts can seriously hamper downstream image processing tasks and hinder detection of subtle phenotypes. It is therefore of primary concern, and a prerequisite, to use quality control in HCS. In this work, we evaluate deep learning options that do not require extensive image annotations to provide a straightforward and easy to use semi-supervised learning solution to this issue. Concretely, we compared the efficacy of recent self-supervised and transfer learning approaches to provide a base encoder to a high throughput artefact image detector. The results of this study suggest that transfer learning methods should be preferred for this task as they not only performed best here but present the advantage of not requiring sensitive hyperparameter settings nor extensive additional training.

Simulation has played an important role in efficiently evaluating self-driving vehicles in terms of scalability. Existing methods mostly rely on heuristic-based simulation, where traffic participants follow certain human-encoded rules that fail to generate complex human behaviors. Therefore, the reactive simulation concept is proposed to bridge the human behavior gap between simulation and real-world traffic scenarios by leveraging real-world data. However, these reactive models can easily generate unreasonable behaviors after a few steps of simulation, where we regard the model as losing its stability. To the best of our knowledge, no work has explicitly discussed and analyzed the stability of the reactive simulation framework. In this paper, we aim to provide a thorough stability analysis of the reactive simulation and propose a solution to enhance the stability. Specifically, we first propose a new reactive simulation framework, where we discover that the smoothness and consistency of the simulated state sequences are crucial factors to stability. We then incorporate the kinematic vehicle model into the framework to improve the closed-loop stability of the reactive simulation. Furthermore, along with commonly-used metrics, several novel metrics are proposed in this paper to better analyze the simulation performance.

We present a weight similarity measure method that can quantify the weight similarity of non-convex neural networks. To understand the weight similarity of different trained models, we propose to extract the feature representation from the weights of neural networks. We first normalize the weights of neural networks by introducing a chain normalization rule, which is used for weight representation learning and weight similarity measure. We extend the traditional hypothesis-testing method to a hypothesis-training-testing statistical inference method to validate the hypothesis on the weight similarity of neural networks. With the chain normalization rule and the new statistical inference, we study the weight similarity measure on Multi-Layer Perceptron (MLP), Convolutional Neural Network (CNN), and Recurrent Neural Network (RNN), and find that the weights of an identical neural network optimized with the Stochastic Gradient Descent (SGD) algorithm converge to a similar local solution in a metric space. The weight similarity measure provides more insight into the local solutions of neural networks. Experiments on several datasets consistently validate the hypothesis of weight similarity measure.  ( 2 min )

Partial least square regression (PLSR) is a widely-used statistical model to reveal the linear relationships of latent factors that comes from the independent variables and dependent variables. However, traditional methods \ql{ to solve PLSR models are usually based on the Euclidean space, and easily getting} stuck into a local minimum. To this end, we propose a new method to solve the partial least square regression, named PLSR via optimization on bi-Grassmann manifold (PLSRbiGr). \ql{Specifically, we first leverage} the three-factor SVD-type decomposition of the cross-covariance matrix defined on the bi-Grassmann manifold, converting the orthogonal constrained optimization problem into an unconstrained optimization problem on bi-Grassmann manifold, and then incorporate the Riemannian preconditioning of matrix scaling to regulate the Riemannian metric in each iteration. \ql{PLSRbiGr is validated} with a variety of experiments for decoding EEG signals at motor imagery (MI) and steady-state visual evoked potential (SSVEP) task. Experimental results demonstrate that PLSRbiGr outperforms competing algorithms in multiple EEG decoding tasks, which will greatly facilitate small sample data learning.

Monitoring seed maturity is an increasing challenge in agriculture due to climate change and more restrictive practices. Seeds monitoring in the field is essential to optimize the farming process and to guarantee yield quality through high germination. Traditional methods are based on limited sampling in the field and analysis in laboratory. Moreover, they are time consuming and only allow monitoring sub-sections of the crop field. This leads to a lack of accuracy on the condition of the crop as a whole due to intra-field heterogeneities. Multispectral imagery by UAV allows uniform scan of fields and better capture of crop maturity information. On the other hand, deep learning methods have shown tremendous potential in estimating agronomic parameters, especially maturity. However, they require large labeled datasets. Although large sets of aerial images are available, labeling them with ground truth is a tedious, if not impossible task. In this paper, we propose a method for estimating parsley seed maturity using multispectral UAV imagery, with a new approach for automatic data labeling. This approach is based on parametric and non-parametric models to provide weak labels. We also consider the data acquisition protocol and the performance evaluation of the different steps of the method. Results show good performance, and the non-parametric kernel density estimator model can improve neural network generalization when used as a labeling method, leading to more robust and better performing deep neural models.

Study of neural networks with infinite width is important for better understanding of the neural network in practical application. In this work, we derive the equivalence of the deep, infinite-width maxout network and the Gaussian process (GP) and characterize the maxout kernel with a compositional structure. Moreover, we build up the connection between our deep maxout network kernel and deep neural network kernels. We also give an efficient numerical implementation of our kernel which can be adapted to any maxout rank. Numerical results show that doing Bayesian inference based on the deep maxout network kernel can lead to competitive results compared with their finite-width counterparts and deep neural network kernels. This enlightens us that the maxout activation may also be incorporated into other infinite-width neural network structures such as the convolutional neural network (CNN).

Graph similarity measurement, which computes the distance/similarity between two graphs, arises in various graph-related tasks. Recent learning-based methods lack interpretability, as they directly transform interaction information between two graphs into one hidden vector and then map it to similarity. To cope with this problem, this study proposes a more interpretable end-to-end paradigm for graph similarity learning, named Similarity Computation via Maximum Common Subgraph Inference (INFMCS). Our critical insight into INFMCS is the strong correlation between similarity score and Maximum Common Subgraph (MCS). We implicitly infer MCS to obtain the normalized MCS size, with the supervision information being only the similarity score during training. To capture more global information, we also stack some vanilla transformer encoder layers with graph convolution layers and propose a novel permutation-invariant node Positional Encoding. The entire model is quite simple yet effective. Comprehensive experiments demonstrate that INFMCS consistently outperforms state-of-the-art baselines for graph-graph classification and regression tasks. Ablation experiments verify the effectiveness of the proposed computation paradigm and other components. Also, visualization and statistics of results reveal the interpretability of INFMCS.

Early detection of cancers has been much explored due to its paramount importance in biomedical fields. Among different types of data used to answer this biological question, studies based on T cell receptors (TCRs) are under recent spotlight due to the growing appreciation of the roles of the host immunity system in tumor biology. However, the one-to-many correspondence between a patient and multiple TCR sequences hinders researchers from simply adopting classical statistical/machine learning methods. There were recent attempts to model this type of data in the context of multiple instance learning (MIL). Despite the novel application of MIL to cancer detection using TCR sequences and the demonstrated adequate performance in several tumor types, there is still room for improvement, especially for certain cancer types. Furthermore, explainable neural network models are not fully investigated for this application. In this article, we propose multiple instance neural networks based on sparse attention (MINN-SA) to enhance the performance in cancer detection and explainability. The sparse attention structure drops out uninformative instances in each bag, achieving both interpretability and better predictive performance in combination with the skip connection. Our experiments show that MINN-SA yields the highest area under the ROC curve (AUC) scores on average measured across 10 different types of cancers, compared to existing MIL approaches. Moreover, we observe from the estimated attentions that MINN-SA can identify the TCRs that are specific for tumor antigens in the same T cell repertoire.

Given a dataset of images containing different objects with different features such as shape, size, rotation, and x-y position; and a Variational Autoencoder (VAE); creating a disentangled encoding of these features in the hidden space vector of the VAE was the task of interest in this paper. The dSprite dataset provided the desired features for the required experiments in this research. After training the VAE combined with a Generative Adversarial Network (GAN), each dimension of the hidden vector was disrupted to explore the disentanglement in each dimension. Note that the GAN was used to improve the quality of output image reconstruction.

The performance of trained neural networks is robust to harsh levels of pruning. Coupled with the ever-growing size of deep learning models, this observation has motivated extensive research on learning sparse models. In this work, we focus on the task of controlling the level of sparsity when performing sparse learning. Existing methods based on sparsity-inducing penalties involve expensive trial-and-error tuning of the penalty factor, thus lacking direct control of the resulting model sparsity. In response, we adopt a constrained formulation: using the gate mechanism proposed by Louizos et al. (2018), we formulate a constrained optimization problem where sparsification is guided by the training objective and the desired sparsity target in an end-to-end fashion. Experiments on CIFAR-10/100, TinyImageNet, and ImageNet using WideResNet and ResNet{18, 50} models validate the effectiveness of our proposal and demonstrate that we can reliably achieve pre-determined sparsity targets without compromising on predictive performance.

Recent sequential recommendation models rely increasingly on consecutive short-term user-item interaction sequences to model user interests. These approaches have, however, raised concerns about both short- and long-term interests. (1) {\it short-term}: interaction sequences may not result from a monolithic interest, but rather from several intertwined interests, even within a short period of time, resulting in their failures to model skip behaviors; (2) {\it long-term}: interaction sequences are primarily observed sparsely at discrete intervals, other than consecutively over the long run. This renders difficulty in inferring long-term interests, since only discrete interest representations can be derived, without taking into account interest dynamics across sequences. In this study, we address these concerns by learning (1) multi-scale representations of short-term interests; and (2) dynamics-aware representations of long-term interests. To this end, we present an \textbf{I}nterest \textbf{D}ynamics modeling framework using generative \textbf{N}eural \textbf{P}rocesses, coined IDNP, to model user interests from a functional perspective. IDNP learns a global interest function family to define each user's long-term interest as a function instantiation, manifesting interest dynamics through function continuity. Specifically, IDNP first encodes each user's short-term interactions into multi-scale representations, which are then summarized as user context. By combining latent global interest with user context, IDNP then reconstructs long-term user interest functions and predicts interactions at upcoming query timestep. Moreover, IDNP can model such interest functions even when interaction sequences are limited and non-consecutive. Extensive experiments on four real-world datasets demonstrate that our model outperforms state-of-the-arts on various evaluation metrics.

Predicting the novel effects of drugs based on information about approved drugs can be regarded as a recommendation system. Matrix factorization is one of the most used recommendation systems and various algorithms have been devised for it. A literature survey and summary of existing algorithms for predicting drug effects demonstrated that most such methods, including neighborhood regularized logistic matrix factorization, which was the best performer in benchmark tests, used a binary matrix that considers only the presence or absence of interactions. However, drug effects are known to have two opposite aspects, such as side effects and therapeutic effects. In the present study, we proposed using neighborhood regularized bidirectional matrix factorization (NRBdMF) to predict drug effects by incorporating bidirectionality, which is a characteristic property of drug effects. We used this proposed method for predicting side effects using a matrix that considered the bidirectionality of drug effects, in which known side effects were assigned a positive label (plus 1) and known treatment effects were assigned a negative (minus 1) label. The NRBdMF model, which utilizes drug bidirectional information, achieved enrichment of side effects at the top and indications at the bottom of the prediction list. This first attempt to consider the bidirectional nature of drug effects using NRBdMF showed that it reduced false positives and produced a highly interpretable output.

Dysphonia is one of the early symptoms of Parkinson's disease (PD). Most existing methods use feature selection methods to find the optimal subset of voice features for all PD patients to improve the prediction performance. Few have considered the heterogeneity between patients, which implies the need to provide specific prediction models for different patients. However, building this prediction model for each patient faces the challenge of small sample size, which makes it lack generalization ability. Instance transfer is an effective way to make up for this deficiency. Therefore, this paper proposes a patient-specific game-based transfer (PSGT) method for PD severity prediction. First, a selection mechanism is used to select PD patients with similar disease trends to the target patient from the source domain, which greatly reduces the scope of instance transfer and reduces the risk of negative transfer. Then, the contribution of the transferred subjects and their instances to the disease estimation of the target subject is fairly evaluated by the Shapley value, which improves the interpretability of the method. Next, the proportion of valid instances is determined according to the contribution of transferred subjects, and the instances with higher contribution are transferred based on this proportion to further reduce the difference between the transferred instance subset and the target subject. Finally, the selected subset of instances is added to the training set of the target subject, and the extended data is fed into the random forest to improve the performance of the PD severity prediction method. Parkinson's telemonitoring dataset is used to evaluate the feasibility and effectiveness. Experiment results show that the proposed PSGT method has better performance in both prediction error and stability over compared methods.  ( 3 min )

Efficiently modeling long-range dependencies is an important goal in sequence modeling. Recently, models using structured state space sequence (S4) layers achieved state-of-the-art performance on many long-range tasks. The S4 layer combines linear state space models (SSMs) with deep learning techniques and leverages the HiPPO framework for online function approximation to achieve high performance. However, this framework led to architectural constraints and computational difficulties that make the S4 approach complicated to understand and implement. We revisit the idea that closely following the HiPPO framework is necessary for high performance. Specifically, we replace the bank of many independent single-input, single-output (SISO) SSMs the S4 layer uses with one multi-input, multi-output (MIMO) SSM with a reduced latent dimension. The reduced latent dimension of the MIMO system allows for the use of efficient parallel scans which simplify the computations required to apply the S5 layer as a sequence-to-sequence transformation. In addition, we initialize the state matrix of the S5 SSM with an approximation to the HiPPO-LegS matrix used by S4's SSMs and show that this serves as an effective initialization for the MIMO setting. S5 matches S4's performance on long-range tasks, including achieving an average of 82.46% on the suite of Long Range Arena benchmarks compared to S4's 80.48% and the best transformer variant's 61.41%.

Boosting is a celebrated machine learning approach which is based on the idea of combining weak and moderately inaccurate hypotheses to a strong and accurate one. We study boosting under the assumption that the weak hypotheses belong to a class of bounded capacity. This assumption is inspired by the common convention that weak hypotheses are "rules-of-thumbs" from an "easy-to-learn class". (Schapire and Freund~'12, Shalev-Shwartz and Ben-David '14.) Formally, we assume the class of weak hypotheses has a bounded VC dimension. We focus on two main questions: (i) Oracle Complexity: How many weak hypotheses are needed to produce an accurate hypothesis? We design a novel boosting algorithm and demonstrate that it circumvents a classical lower bound by Freund and Schapire ('95, '12). Whereas the lower bound shows that $\Omega({1}/{\gamma^2})$ weak hypotheses with $\gamma$-margin are sometimes necessary, our new method requires only $\tilde{O}({1}/{\gamma})$ weak hypothesis, provided that they belong to a class of bounded VC dimension. Unlike previous boosting algorithms which aggregate the weak hypotheses by majority votes, the new boosting algorithm uses more complex ("deeper") aggregation rules. We complement this result by showing that complex aggregation rules are in fact necessary to circumvent the aforementioned lower bound. (ii) Expressivity: Which tasks can be learned by boosting weak hypotheses from a bounded VC class? Can complex concepts that are "far away" from the class be learned? Towards answering the first question we {introduce combinatorial-geometric parameters which capture expressivity in boosting.} As a corollary we provide an affirmative answer to the second question for well-studied classes, including half-spaces and decision stumps. Along the way, we establish and exploit connections with Discrepancy Theory.

Passive beamforming in reconfigurable intelligent surfaces (RISs) enables a feasible and efficient way of communication when the RIS reflection coefficients are precisely adjusted. In this paper, we present a framework to track the RIS reflection coefficients with the aid of deep learning from a time-series prediction perspective in a terahertz (THz) communication system. The proposed framework achieves a two-step enhancement over the similar learning-driven counterparts. Specifically, in the first step, we train a liquid state machine (LSM) to track the historical RIS reflection coefficients at prior time steps (known as a time-series sequence) and predict their upcoming time steps. We also fine-tune the trained LSM through Xavier initialization technique to decrease the prediction variance, thus resulting in a higher prediction accuracy. In the second step, we use ensemble learning technique which leverages on the prediction power of multiple LSMs to minimize the prediction variance and improve the precision of the first step. It is numerically demonstrated that, in the first step, employing the Xavier initialization technique to fine-tune the LSM results in at most 26% lower LSM prediction variance and as much as 46% achievable spectral efficiency (SE) improvement over the existing counterparts, when an RIS of size 11x11 is deployed. In the second step, under the same computational complexity of training a single LSM, the ensemble learning with multiple LSMs degrades the prediction variance of a single LSM up to 66% and improves the system achievable SE at most 54%.  ( 3 min )

We investigate a data quality-aware dynamic client selection problem for multiple federated learning (FL) services in a wireless network, where each client has dynamic datasets for the simultaneous training of multiple FL services and each FL service demander has to pay for the clients with constrained monetary budgets. The problem is formalized as a non-cooperative Markov game over the training rounds. A multi-agent hybrid deep reinforcement learning-based algorithm is proposed to optimize the joint client selection and payment actions, while avoiding action conflicts. Simulation results indicate that our proposed algorithm can significantly improve the training performance.

We explore the merits of training of support vector machines for binary classification by means of solving systems of ordinary differential equations. We thus assume a continuous time perspective on a machine learning problem which may be of interest for implementations on (re)emerging hardware platforms such as analog- or quantum computers.

The initial years of an infant's life are known as the critical period, during which the overall development of learning performance is significantly impacted due to neural plasticity. In recent studies, an AI agent, with a deep neural network mimicking mechanisms of actual neurons, exhibited a learning period similar to human's critical period. Especially during this initial period, the appropriate stimuli play a vital role in developing learning ability. However, transforming human cognitive bias into an appropriate shaping reward is quite challenging, and prior works on critical period do not focus on finding the appropriate stimulus. To take a step further, we propose multi-stage reinforcement learning to emphasize finding ``appropriate stimulus" around the critical period. Inspired by humans' early cognitive-developmental stage, we use multi-stage guidance near the critical period, and demonstrate the appropriate shaping reward (stage-2 guidance) in terms of the AI agent's performance, efficiency, and stability.

The success of deep learning comes at a tremendous computational and energy cost, and the scalability of training massively overparametrized neural networks is becoming a real barrier to the progress of AI. Despite the popularity and low cost-per-iteration of traditional Backpropagation via gradient decent, SGD has prohibitive convergence rate in non-convex settings, both in theory and practice. To mitigate this cost, recent works have proposed to employ alternative (Newton-type) training methods with much faster convergence rate, albeit with higher cost-per-iteration. For a typical neural network with $m=\mathrm{poly}(n)$ parameters and input batch of $n$ datapoints in $\mathbb{R}^d$, the previous work of [Brand, Peng, Song, and Weinstein, ITCS'2021] requires $\sim mnd + n^3$ time per iteration. In this paper, we present a novel training method that requires only $m^{1-\alpha} n d + n^3$ amortized time in the same overparametrized regime, where $\alpha \in (0.01,1)$ is some fixed constant. This method relies on a new and alternative view of neural networks, as a set of binary search trees, where each iteration corresponds to modifying a small subset of the nodes in the tree. We believe this view would have further applications in the design and analysis of DNNs.

Human leukocyte antigen (HLA) is an important molecule family in the field of human immunity, which recognizes foreign threats and triggers immune responses by presenting peptides to T cells. In recent years, the synthesis of tumor vaccines to induce specific immune responses has become the forefront of cancer treatment. Computationally modeling the binding patterns between peptide and HLA can greatly accelerate the development of tumor vaccines. However, most of the prediction methods performance is very limited and they cannot fully take advantage of the analysis of existing biological knowledge as the basis of modeling. In this paper, we propose TripHLApan, a novel pan-specific prediction model, for HLA molecular peptide binding prediction. TripHLApan exhibits powerful prediction ability by integrating triple coding matrix, BiGRU + Attention models, and transfer learning strategy. The comprehensive evaluations demonstrate the effectiveness of TripHLApan in predicting HLA-I and HLA-II peptide binding in different test environments. The predictive power of HLA-I is further demonstrated in the latest data set. In addition, we show that TripHLApan has strong binding reconstitution ability in the samples of a melanoma patient. In conclusion, TripHLApan is a powerful tool for predicting the binding of HLA-I and HLA-II molecular peptides for the synthesis of tumor vaccines.  ( 3 min )

Despite echo chambers in social media have been under considerable scrutiny, general models for their detection and analysis are missing. In this work, we aim to fill this gap by proposing a probabilistic generative model that explains social media footprints -- i.e., social network structure and propagations of information -- through a set of latent communities, characterized by a degree of echo-chamber behavior and by an opinion polarity. Specifically, echo chambers are modeled as communities that are permeable to pieces of information with similar ideological polarity, and impermeable to information of opposed leaning: this allows discriminating echo chambers from communities that lack a clear ideological alignment. To learn the model parameters we propose a scalable, stochastic adaptation of the Generalized Expectation Maximization algorithm, that optimizes the joint likelihood of observing social connections and information propagation. Experiments on synthetic data show that our algorithm is able to correctly reconstruct ground-truth latent communities with their degree of echo-chamber behavior and opinion polarity. Experiments on real-world data about polarized social and political debates, such as the Brexit referendum or the COVID-19 vaccine campaign, confirm the effectiveness of our proposal in detecting echo chambers. Finally, we show how our model can improve accuracy in auxiliary predictive tasks, such as stance detection and prediction of future propagations.

Responsive teaching is a highly effective strategy that promotes student learning. In math classrooms, teachers might "funnel" students towards a normative answer or "focus" students to reflect on their own thinking, deepening their understanding of math concepts. When teachers focus, they treat students' contributions as resources for collective sensemaking, and thereby significantly improve students' achievement and confidence in mathematics. We propose the task of computationally detecting funneling and focusing questions in classroom discourse. We do so by creating and releasing an annotated dataset of 2,348 teacher utterances labeled for funneling and focusing questions, or neither. We introduce supervised and unsupervised approaches to differentiating these questions. Our best model, a supervised RoBERTa model fine-tuned on our dataset, has a strong linear correlation of .76 with human expert labels and with positive educational outcomes, including math instruction quality and student achievement, showing the model's potential for use in automated teacher feedback tools. Our unsupervised measures show significant but weaker correlations with human labels and outcomes, and they highlight interesting linguistic patterns of funneling and focusing questions. The high performance of the supervised measure indicates its promise for supporting teachers in their instruction.

We propose a sampling method based on an ensemble approximation of second order Langevin dynamics. The log target density is appended with a quadratic term in an auxiliary momentum variable and damped-driven Hamiltonian dynamics introduced; the resulting stochastic differential equation is invariant to the Gibbs measure, with marginal on the position coordinates given by the target. A preconditioner based on covariance under the law of the dynamics does not change this invariance property, and is introduced to accelerate convergence to the Gibbs measure. The resulting mean-field dynamics may be approximated by an ensemble method; this results in a gradient-free and affine-invariant stochastic dynamical system. Numerical results demonstrate its potential as the basis for a numerical sampler in Bayesian inverse problems.  ( 2 min )

Solving partial differential equations (PDEs) is an important research means in the fields of physics, biology, and chemistry. As an approximate alternative to numerical methods, PINN has received extensive attention and played an important role in many fields. However, PINN uses a fully connected network as its model, which has limited fitting ability and limited extrapolation ability in both time and space. In this paper, we propose PhyGNNet for solving partial differential equations on the basics of a graph neural network which consists of encoder, processer, and decoder blocks. In particular, we divide the computing area into regular grids, define partial differential operators on the grids, then construct pde loss for the network to optimize to build PhyGNNet model. What's more, we conduct comparative experiments on Burgers equation and heat equation to validate our approach, the results show that our method has better fit ability and extrapolation ability both in time and spatial areas compared with PINN.

In this paper, we propose and analyze algorithms for zeroth-order optimization of non-convex composite objectives, focusing on reducing the complexity dependence on dimensionality. This is achieved by exploiting the low dimensional structure of the decision set using the stochastic mirror descent method with an entropy alike function, which performs gradient descent in the space equipped with the maximum norm. To improve the gradient estimation, we replace the classic Gaussian smoothing method with a sampling method based on the Rademacher distribution and show that the mini-batch method copes with the non-Euclidean geometry. To avoid tuning hyperparameters, we analyze the adaptive stepsizes for the general stochastic mirror descent and show that the adaptive version of the proposed algorithm converges without requiring prior knowledge about the problem.

Recent years have seen a great increase in the capacity and parallel processing power of data centers and cloud services. To fully utilize the said distributed systems, optimal load balancing for parallel queuing architectures must be realized. Existing state-of-the-art solutions fail to consider the effect of communication delays on the behaviour of very large systems with many clients. In this work, we consider a multi-agent load balancing system, with delayed information, consisting of many clients (load balancers) and many parallel queues. In order to obtain a tractable solution, we model this system as a mean-field control problem with enlarged state-action space in discrete time through exact discretization. Subsequently, we apply policy gradient reinforcement learning algorithms to find an optimal load balancing solution. Here, the discrete-time system model incorporates a synchronization delay under which the queue state information is synchronously broadcasted and updated at all clients. We then provide theoretical performance guarantees for our methodology in large systems. Finally, using experiments, we prove that our approach is not only scalable but also shows good performance when compared to the state-of-the-art power-of-d variant of the Join-the-Shortest-Queue (JSQ) and other policies in the presence of synchronization delays.

The variability of wind power supply can present substantial challenges to incorporating wind power into a grid system. Thus, Wind Power Forecasting (WPF) has been widely recognized as one of the most critical issues in wind power integration and operation. There has been an explosion of studies on wind power forecasting problems in the past decades. Nevertheless, how to well handle the WPF problem is still challenging, since high prediction accuracy is always demanded to ensure grid stability and security of supply. We present a unique Spatial Dynamic Wind Power Forecasting dataset: SDWPF, which includes the spatial distribution of wind turbines, as well as the dynamic context factors. Whereas, most of the existing datasets have only a small number of wind turbines without knowing the locations and context information of wind turbines at a fine-grained time scale. By contrast, SDWPF provides the wind power data of 134 wind turbines from a wind farm over half a year with their relative positions and internal statuses. We use this dataset to launch the Baidu KDD Cup 2022 to examine the limit of current WPF solutions. The dataset is released at https://aistudio.baidu.com/aistudio/competition/detail/152/0/datasets.

The shuffle model of differential privacy has gained significant interest as an intermediate trust model between the standard local and central models [EFMRTT19; CSUZZ19]. A key result in this model is that randomly shuffling locally randomized data amplifies differential privacy guarantees. Such amplification implies substantially stronger privacy guarantees for systems in which data is contributed anonymously [BEMMRLRKTS17]. In this work, we improve the state of the art privacy amplification by shuffling results both theoretically and numerically. Our first contribution is the first asymptotically optimal analysis of the R\'enyi differential privacy parameters for the shuffled outputs of LDP randomizers. Our second contribution is a new analysis of privacy amplification by shuffling. This analysis improves on the techniques of [FMT20] and leads to tighter numerical bounds in all parameter settings.

Time series shapelets are discriminative subsequences that have been recently found effective for time series clustering (TSC). The shapelets are convenient for interpreting the clusters. Thus, the main challenge for TSC is to discover high-quality variable-length shapelets to discriminate different clusters. In this paper, we propose a novel autoencoder-shapelet approach (AUTOSHAPE), which is the first study to take the advantage of both autoencoder and shapelet for determining shapelets in an unsupervised manner. An autoencoder is specially designed to learn high-quality shapelets. More specifically, for guiding the latent representation learning, we employ the latest self-supervised loss to learn the unified embeddings for variable-length shapelet candidates (time series subsequences) of different variables, and propose the diversity loss to select the discriminating embeddings in the unified space. We introduce the reconstruction loss to recover shapelets in the original time series space for clustering. Finally, we adopt Davies Bouldin index (DBI) to inform AUTOSHAPE of the clustering performance during learning. We present extensive experiments on AUTOSHAPE. To evaluate the clustering performance on univariate time series (UTS), we compare AUTOSHAPE with 15 representative methods using UCR archive datasets. To study the performance of multivariate time series (MTS), we evaluate AUTOSHAPE on 30 UEA archive datasets with 5 competitive methods. The results validate that AUTOSHAPE is the best among all the methods compared. We interpret clusters with shapelets, and can obtain interesting intuitions about clusters in three UTS case studies and one MTS case study, respectively.  ( 3 min )

We study the problem of graph structure identification, i.e., of recovering the graph of dependencies among time series. We model these time series data as components of the state of linear stochastic networked dynamical systems. We assume partial observability, where the state evolution of only a subset of nodes comprising the network is observed. We devise a new feature vector computed from the observed time series and prove that these features are linearly separable, i.e., there exists a hyperplane that separates the cluster of features associated with connected pairs of nodes from those associated with disconnected pairs. This renders the features amenable to train a variety of classifiers to perform causal inference. In particular, we use these features to train Convolutional Neural Networks (CNNs). The resulting causal inference mechanism outperforms state-of-the-art counterparts w.r.t. sample-complexity. The trained CNNs generalize well over structurally distinct networks (dense or sparse) and noise-level profiles. Remarkably, they also generalize well to real-world networks while trained over a synthetic network (realization of a random graph). Finally, the proposed method consistently reconstructs the graph in a pairwise manner, that is, by deciding if an edge or arrow is present or absent in each pair of nodes, from the corresponding time series of each pair. This fits the framework of large-scale systems, where observation or processing of all nodes in the network is prohibitive.  ( 3 min )

This paper introduces a deep learning system based on a quantum neural network for the binary classification of points of a specific geometric pattern (Two-Moons Classification problem) on a plane. We believe that the use of hybrid deep learning systems (classical + quantum) can reasonably bring benefits, not only in terms of computational acceleration but in understanding the underlying phenomena and mechanisms; that will lead to the creation of new forms of machine learning, as well as to a strong development in the world of quantum computation. The chosen dataset is based on a 2D binary classification generator, which helps test the effectiveness of specific algorithms; it is a set of 2D points forming two interspersed semicircles. It displays two disjointed data sets in a two-dimensional representation space: the features are, therefore, the individual points' two coordinates, $x_1$ and $x_2$. The intention was to produce a quantum deep neural network with the minimum number of trainable parameters capable of correctly recognising and classifying points.  ( 2 min )

Molecular property prediction is of crucial importance in many disciplines such as drug discovery, molecular biology, or material and process design. The frequently employed quantitative structure-property/activity relationships (QSPRs/QSARs) characterize molecules by descriptors which are then mapped to the properties of interest via a linear or nonlinear model. In contrast, graph neural networks, a novel machine learning method, directly work on the molecular graph, i.e., a graph representation where atoms correspond to nodes and bonds correspond to edges. GNNs allow to learn properties in an end-to-end fashion, thereby avoiding the need for informative descriptors as in QSPRs/QSARs. GNNs have been shown to achieve state-of-the-art prediction performance on various property predictions tasks and represent an active field of research. We describe the fundamentals of GNNs and demonstrate the application of GNNs via two examples for molecular property prediction.

Interstellar objects (ISOs), astronomical objects not gravitationally bound to the Sun, are likely representatives of primitive materials invaluable in understanding exoplanetary star systems. Due to their poorly constrained orbits with generally high inclinations and relative velocities, however, exploring ISOs with conventional human-in-the-loop approaches is significantly challenging. This paper presents Neural-Rendezvous -- a deep learning-based guidance and control framework for encountering any fast-moving objects, including ISOs, robustly, accurately, and autonomously in real-time. It uses pointwise minimum norm tracking control on top of a guidance policy modeled by a spectrally-normalized deep neural network, where its hyperparameters are tuned with a newly introduced loss function directly penalizing the state trajectory tracking error. We rigorously show that, even in the challenging case of ISO exploration, Neural-Rendezvous provides 1) a high probability exponential bound on the expected spacecraft delivery error; and 2) a finite optimality gap with respect to the solution of model predictive control, both of which are indispensable especially for such a critical space mission. In numerical simulations, Neural-Rendezvous is demonstrated to achieve a terminal-time delivery error of less than 0.2 km for 99% of the ISO candidates with realistic state uncertainty, whilst retaining computational efficiency sufficient for real-time implementation.

Deep and wide neural networks successfully fit very complex functions today, but dense models are starting to be prohibitively expensive for inference. To mitigate this, one promising direction is networks that activate a sparse subgraph of the network. The subgraph is chosen by a data-dependent routing function, enforcing a fixed mapping of inputs to subnetworks (e.g., the Mixture of Experts (MoE) paradigm in Switch Transformers). However, prior work is largely empirical, and while existing routing functions work well in practice, they do not lead to theoretical guarantees on approximation ability. We aim to provide a theoretical explanation for the power of sparse networks. As our first contribution, we present a formal model of data-dependent sparse networks that captures salient aspects of popular architectures. We then introduce a routing function based on locality sensitive hashing (LSH) that enables us to reason about how well sparse networks approximate target functions. After representing LSH-based sparse networks with our model, we prove that sparse networks can match the approximation power of dense networks on Lipschitz functions. Applying LSH on the input vectors means that the experts interpolate the target function in different subregions of the input space. To support our theory, we define various datasets based on Lipschitz target functions, and we show that sparse networks give a favorable trade-off between number of active units and approximation quality.

While overfitting and, more generally, double descent are ubiquitous in machine learning, increasing the number of parameters of the most widely used tensor network, the matrix product state (MPS), has generally lead to monotonic improvement of test performance in previous studies. To better understand the generalization properties of architectures parameterized by MPS, we construct artificial data which can be exactly modeled by an MPS and train the models with different number of parameters. We observe model overfitting for one-dimensional data, but also find that for more complex data overfitting is less significant, while with MNIST image data we do not find any signatures of overfitting. We speculate that generalization properties of MPS depend on the properties of data: with one-dimensional data (for which the MPS ansatz is the most suitable) MPS is prone to overfitting, while with more complex data which cannot be fit by MPS exactly, overfitting may be much less significant.

Causal identification is at the core of the causal inference literature, where complete algorithms have been proposed to identify causal queries of interest. The validity of these algorithms hinges on the restrictive assumption of having access to a correctly specified causal structure. In this work, we study the setting where a probabilistic model of the causal structure is available. Specifically, the edges in a causal graph are assigned probabilities which may, for example, represent degree of belief from domain experts. Alternatively, the uncertainly about an edge may reflect the confidence of a particular statistical test. The question that naturally arises in this setting is: Given such a probabilistic graph and a specific causal effect of interest, what is the subgraph which has the highest plausibility and for which the causal effect is identifiable? We show that answering this question reduces to solving an NP-hard combinatorial optimization problem which we call the edge ID problem. We propose efficient algorithms to approximate this problem, and evaluate our proposed algorithms against real-world networks and randomly generated graphs.

Predicting travel time under rare temporal conditions (e.g., public holidays, school vacation period, etc.) constitutes a challenge due to the limitation of historical data. If at all available, historical data often form a heterogeneous time series due to high probability of other changes over long periods of time (e.g., road works, introduced traffic calming initiatives, etc.). This is especially prominent in cities and suburban areas. We present a vector-space model for encoding rare temporal conditions, that allows coherent representation learning across different temporal conditions. We show increased performance for travel time prediction over different baselines when utilizing the vector-space encoding for representing the temporal setting.

Statistical tests for dataset shift are susceptible to false alarms: they are sensitive to minor differences when there is in fact adequate sample coverage and predictive performance. We propose instead a framework to detect adverse dataset shifts based on outlier scores, $\texttt{D-SOS}$ for short. $\texttt{D-SOS}$ holds that the new (test) sample is not substantively worse than the reference (training) sample, and not that the two are equal. The key idea is to reduce observations to outlier scores and compare contamination rates at varying weighted thresholds. Users can define what $\it{worse}$ means in terms of relevant notions of outlyingness, including proxies for predictive performance. Compared to tests of equal distribution, our approach is uniquely tailored to serve as a robust metric for model monitoring and data validation. We show how versatile and practical $\texttt{D-SOS}$ is on a wide range of real and simulated data.  ( 3 min )

Boosting is a celebrated machine learning approach which is based on the idea of combining weak and moderately inaccurate hypotheses to a strong and accurate one. We study boosting under the assumption that the weak hypotheses belong to a class of bounded capacity. This assumption is inspired by the common convention that weak hypotheses are "rules-of-thumbs" from an "easy-to-learn class". (Schapire and Freund~'12, Shalev-Shwartz and Ben-David '14.) Formally, we assume the class of weak hypotheses has a bounded VC dimension. We focus on two main questions: (i) Oracle Complexity: How many weak hypotheses are needed to produce an accurate hypothesis? We design a novel boosting algorithm and demonstrate that it circumvents a classical lower bound by Freund and Schapire ('95, '12). Whereas the lower bound shows that $\Omega({1}/{\gamma^2})$ weak hypotheses with $\gamma$-margin are sometimes necessary, our new method requires only $\tilde{O}({1}/{\gamma})$ weak hypothesis, provided that they belong to a class of bounded VC dimension. Unlike previous boosting algorithms which aggregate the weak hypotheses by majority votes, the new boosting algorithm uses more complex ("deeper") aggregation rules. We complement this result by showing that complex aggregation rules are in fact necessary to circumvent the aforementioned lower bound. (ii) Expressivity: Which tasks can be learned by boosting weak hypotheses from a bounded VC class? Can complex concepts that are "far away" from the class be learned? Towards answering the first question we {introduce combinatorial-geometric parameters which capture expressivity in boosting.} As a corollary we provide an affirmative answer to the second question for well-studied classes, including half-spaces and decision stumps. Along the way, we establish and exploit connections with Discrepancy Theory.  ( 3 min )

Early detection of cancers has been much explored due to its paramount importance in biomedical fields. Among different types of data used to answer this biological question, studies based on T cell receptors (TCRs) are under recent spotlight due to the growing appreciation of the roles of the host immunity system in tumor biology. However, the one-to-many correspondence between a patient and multiple TCR sequences hinders researchers from simply adopting classical statistical/machine learning methods. There were recent attempts to model this type of data in the context of multiple instance learning (MIL). Despite the novel application of MIL to cancer detection using TCR sequences and the demonstrated adequate performance in several tumor types, there is still room for improvement, especially for certain cancer types. Furthermore, explainable neural network models are not fully investigated for this application. In this article, we propose multiple instance neural networks based on sparse attention (MINN-SA) to enhance the performance in cancer detection and explainability. The sparse attention structure drops out uninformative instances in each bag, achieving both interpretability and better predictive performance in combination with the skip connection. Our experiments show that MINN-SA yields the highest area under the ROC curve (AUC) scores on average measured across 10 different types of cancers, compared to existing MIL approaches. Moreover, we observe from the estimated attentions that MINN-SA can identify the TCRs that are specific for tumor antigens in the same T cell repertoire.  ( 3 min )

Predicting travel time under rare temporal conditions (e.g., public holidays, school vacation period, etc.) constitutes a challenge due to the limitation of historical data. If at all available, historical data often form a heterogeneous time series due to high probability of other changes over long periods of time (e.g., road works, introduced traffic calming initiatives, etc.). This is especially prominent in cities and suburban areas. We present a vector-space model for encoding rare temporal conditions, that allows coherent representation learning across different temporal conditions. We show increased performance for travel time prediction over different baselines when utilizing the vector-space encoding for representing the temporal setting.  ( 2 min )

Study of neural networks with infinite width is important for better understanding of the neural network in practical application. In this work, we derive the equivalence of the deep, infinite-width maxout network and the Gaussian process (GP) and characterize the maxout kernel with a compositional structure. Moreover, we build up the connection between our deep maxout network kernel and deep neural network kernels. We also give an efficient numerical implementation of our kernel which can be adapted to any maxout rank. Numerical results show that doing Bayesian inference based on the deep maxout network kernel can lead to competitive results compared with their finite-width counterparts and deep neural network kernels. This enlightens us that the maxout activation may also be incorporated into other infinite-width neural network structures such as the convolutional neural network (CNN).  ( 2 min )

This tutorial paper surveys provably optimal alternatives to end-to-end backpropagation (E2EBP) -- the de facto standard for training deep architectures. Modular training refers to strictly local training without both the forward and the backward pass, i.e., dividing a deep architecture into several nonoverlapping modules and training them separately without any end-to-end operation. Between the fully global E2EBP and the strictly local modular training, there are weakly modular hybrids performing training without the backward pass only. These alternatives can match or surpass the performance of E2EBP on challenging datasets such as ImageNet, and are gaining increasing attention primarily because they offer practical advantages over E2EBP, which will be enumerated herein. In particular, they allow for greater modularity and transparency in deep learning workflows, aligning deep learning with the mainstream computer science engineering that heavily exploits modularization for scalability. Modular training has also revealed novel insights about learning and has further implications on other important research domains. Specifically, it induces natural and effective solutions to some important practical problems such as data efficiency and transferability estimation.  ( 3 min )

The purpose of this review is to introduce the reader to graph kernels, with a view of applying them in classification problems in chemoinformatics. Graph kernels are functions that allow us to infer chemical properties of molecules, which can help with tasks such as finding suitable compounds for drug design. The use of kernel methods is but one particular way two quantify similarity between graphs. We restrict our discussion to this one method, although popular alternatives have emerged in recent years, most notably Graph Neural Networks.  ( 2 min )

Semi-supervised learning (SSL) has demonstrated its potential to improve the model accuracy for a variety of learning tasks when the high-quality supervised data is severely limited. Although it is often established that the average accuracy for the entire population of data is improved, it is unclear how SSL fares with different sub-populations. Understanding the above question has substantial fairness implications when different sub-populations are defined by the demographic groups that we aim to treat fairly. In this paper, we reveal the disparate impacts of deploying SSL: the sub-population who has a higher baseline accuracy without using SSL (the "rich" one) tends to benefit more from SSL; while the sub-population who suffers from a low baseline accuracy (the "poor" one) might even observe a performance drop after adding the SSL module. We theoretically and empirically establish the above observation for a broad family of SSL algorithms, which either explicitly or implicitly use an auxiliary "pseudo-label". Experiments on a set of image and text classification tasks confirm our claims. We introduce a new metric, Benefit Ratio, and promote the evaluation of the fairness of SSL (Equalized Benefit Ratio). We further discuss how the disparate impact can be mitigated. We hope our paper will alarm the potential pitfall of using SSL and encourage a multifaceted evaluation of future SSL algorithms.  ( 3 min )

In this paper, we explore the use of GAN-based few-shot data augmentation as a method to improve few-shot classification performance. We perform an exploration into how a GAN can be fine-tuned for such a task (one of which is in a class-incremental manner), as well as a rigorous empirical investigation into how well these models can perform to improve few-shot classification. We identify issues related to the difficulty of training such generative models under a purely supervised regime with very few examples, as well as issues regarding the evaluation protocols of existing works. We also find that in this regime, classification accuracy is highly sensitive to how the classes of the dataset are randomly split. Therefore, we propose a semi-supervised fine-tuning approach as a more pragmatic way forward to address these problems.  ( 2 min )

We formulate a class of physics-driven deep latent variable models (PDDLVM) to learn parameter-to-solution (forward) and solution-to-parameter (inverse) maps of parametric partial differential equations (PDEs). Our formulation leverages the finite element method (FEM), deep neural networks, and probabilistic modeling to assemble a deep probabilistic framework in which the forward and inverse maps are approximated with coherent uncertainty quantification. Our probabilistic model explicitly incorporates a parametric PDE-based density and a trainable solution-to-parameter network while the introduced amortized variational family postulates a parameter-to-solution network, all of which are jointly trained. Furthermore, the proposed methodology does not require any expensive PDE solves and is physics-informed only at training time, which allows real-time emulation of PDEs and generation of inverse problem solutions after training, bypassing the need for FEM solve operations with comparable accuracy to FEM solutions. The proposed framework further allows for a seamless integration of observed data for solving inverse problems and building generative models. We demonstrate the effectiveness of our method on a nonlinear Poisson problem, elastic shells with complex 3D geometries, and integrating generic physics-informed neural networks (PINN) architectures. We achieve up to three orders of magnitude speed-ups after training compared to traditional FEM solvers, while outputting coherent uncertainty estimates.  ( 3 min )

Contrastive learning is a recent promising approach in unsupervised representation learning where a feature representation of data is learned by solving a pseudo classification problem from unlabelled data. However, it is not straightforward to understand what representation contrastive learning yields. In addition, contrastive learning is often based on the maximum likelihood estimation, which tends to be vulnerable to the contamination by outliers. To promote the understanding to contrastive learning, this paper first theoretically shows a connection to maximization of mutual information (MI). Our result indicates that density ratio estimation is necessary and sufficient for maximization of MI under some conditions. Thus, contrastive learning related to density ratio estimation as done in popular objective functions can be interpreted as maximizing MI. Next, with the density ratio, we establish new recovery conditions for the latent source components in nonlinear independent component analysis (ICA). In contrast with existing work, the established conditions include a novel insight for the dimensionality of data, which is clearly supported by numerical experiments. Furthermore, inspired by nonlinear ICA, we propose a novel framework to estimate a nonlinear subspace for lower-dimensional latent source components, and some theoretical conditions for the subspace estimation are established with the density ratio. Then, we propose a practical method through outlier-robust density ratio estimation, which can be seen as performing maximization of MI, nonlinear ICA or nonlinear subspace estimation. Moreover, a sample-efficient nonlinear ICA method is also proposed. We theoretically investigate outlier-robustness of the proposed methods. Finally, the usefulness of the proposed methods is numerically demonstrated in nonlinear ICA and through application to linear classification.  ( 3 min )

We propose a type of generalised additive models with of model components based on pair-copula constructions, with prediction as a main aim. The model components are designed such that our model may capture potentially complex interaction effects in the relationship between the response covariates. In addition, our model does not require discretisation of continuous covariates, and is therefore suitable for problems with many such covariates. Further, we have designed a fitting algorithm inspired by gradient boosting, as well as efficient procedures for model selection and evaluation of the model components, through constraints on the model space and approximations, that speed up time-costly computations. In addition to being absolutely necessary for our model to be a realistic alternative in higher dimensions, these techniques may also be useful as a basis for designing efficient models selection algorithms for other types of copula regression models. We have explored the characteristics of our method in a simulation study, in particular comparing it to natural alternatives, such as logic regression, classic boosting models and penalised logistic regression. We have also illustrated our approach on the Wisconsin breast cancer dataset and on the Boston housing dataset. The results show that our method has a prediction performance that is either better than or comparable to the other methods, even when the proportion of discrete covariates is high.  ( 3 min )

This paper proposes a Bayesian model to compare multiple algorithms on multiple data sets, on any metric. The model is based on the Bradley-Terry model, that counts the number of times one algorithm performs better than another on different data sets. Because of its Bayesian foundations, the Bayesian Bradley Terry model (BBT) has different characteristics than frequentist approaches to comparing multiple algorithms on multiple data sets, such as Demsar (2006) tests on mean rank, and Benavoli et al. (2016) multiple pairwise Wilcoxon tests with p-adjustment procedures. In particular, a Bayesian approach allows for more nuanced statements regarding the algorithms beyond claiming that the difference is or it is not statistically significant. Bayesian approaches also allow to define when two algorithms are equivalent for practical purposes, or the region of practical equivalence (ROPE). Different than a Bayesian signed rank comparison procedure proposed by Benavoli et al. (2017), our approach can define a ROPE for any metric, since it is based on probability statements, and not on differences of that metric. This paper also proposes a local ROPE concept, that evaluates whether a positive difference between a mean measure across some cross validation to the mean of some other algorithms is should be really seen as the first algorithm being better than the second, based on effect sizes. This local ROPE proposal is independent of a Bayesian use, and can be used in frequentist approaches based on ranks. A R package and a Python program that implements the BBT is available.  ( 3 min )

The success of deep learning comes at a tremendous computational and energy cost, and the scalability of training massively overparametrized neural networks is becoming a real barrier to the progress of AI. Despite the popularity and low cost-per-iteration of traditional Backpropagation via gradient decent, SGD has prohibitive convergence rate in non-convex settings, both in theory and practice. To mitigate this cost, recent works have proposed to employ alternative (Newton-type) training methods with much faster convergence rate, albeit with higher cost-per-iteration. For a typical neural network with $m=\mathrm{poly}(n)$ parameters and input batch of $n$ datapoints in $\mathbb{R}^d$, the previous work of [Brand, Peng, Song, and Weinstein, ITCS'2021] requires $\sim mnd + n^3$ time per iteration. In this paper, we present a novel training method that requires only $m^{1-\alpha} n d + n^3$ amortized time in the same overparametrized regime, where $\alpha \in (0.01,1)$ is some fixed constant. This method relies on a new and alternative view of neural networks, as a set of binary search trees, where each iteration corresponds to modifying a small subset of the nodes in the tree. We believe this view would have further applications in the design and analysis of DNNs.  ( 2 min )

Approximations of optimization problems arise in computational procedures and sensitivity analysis. The resulting effect on solutions can be significant, with even small approximations of components of a problem translating into large errors in the solutions. We specify conditions under which approximations are well behaved in the sense of minimizers, stationary points, and level-sets and this leads to a framework of consistent approximations. The framework is developed for a broad class of composite problems, which are neither convex nor smooth. We demonstrate the framework using examples from stochastic optimization, neural-network based machine learning, distributionally robust optimization, penalty and augmented Lagrangian methods, interior-point methods, homotopy methods, smoothing methods, extended nonlinear programming, difference-of-convex programming, and multi-objective optimization. An enhanced proximal method illustrates the algorithmic possibilities. A quantitative analysis supplements the development by furnishing rates of convergence.  ( 2 min )

We present a weight similarity measure method that can quantify the weight similarity of non-convex neural networks. To understand the weight similarity of different trained models, we propose to extract the feature representation from the weights of neural networks. We first normalize the weights of neural networks by introducing a chain normalization rule, which is used for weight representation learning and weight similarity measure. We extend the traditional hypothesis-testing method to a hypothesis-training-testing statistical inference method to validate the hypothesis on the weight similarity of neural networks. With the chain normalization rule and the new statistical inference, we study the weight similarity measure on Multi-Layer Perceptron (MLP), Convolutional Neural Network (CNN), and Recurrent Neural Network (RNN), and find that the weights of an identical neural network optimized with the Stochastic Gradient Descent (SGD) algorithm converge to a similar local solution in a metric space. The weight similarity measure provides more insight into the local solutions of neural networks. Experiments on several datasets consistently validate the hypothesis of weight similarity measure.  ( 2 min )

Deep and wide neural networks successfully fit very complex functions today, but dense models are starting to be prohibitively expensive for inference. To mitigate this, one promising direction is networks that activate a sparse subgraph of the network. The subgraph is chosen by a data-dependent routing function, enforcing a fixed mapping of inputs to subnetworks (e.g., the Mixture of Experts (MoE) paradigm in Switch Transformers). However, prior work is largely empirical, and while existing routing functions work well in practice, they do not lead to theoretical guarantees on approximation ability. We aim to provide a theoretical explanation for the power of sparse networks. As our first contribution, we present a formal model of data-dependent sparse networks that captures salient aspects of popular architectures. We then introduce a routing function based on locality sensitive hashing (LSH) that enables us to reason about how well sparse networks approximate target functions. After representing LSH-based sparse networks with our model, we prove that sparse networks can match the approximation power of dense networks on Lipschitz functions. Applying LSH on the input vectors means that the experts interpolate the target function in different subregions of the input space. To support our theory, we define various datasets based on Lipschitz target functions, and we show that sparse networks give a favorable trade-off between number of active units and approximation quality.  ( 3 min )

Finding the optimal hyperparameters of a model can be cast as a bilevel optimization problem, typically solved using zero-order techniques. In this work we study first-order methods when the inner optimization problem is convex but non-smooth. We show that the forward-mode differentiation of proximal gradient descent and proximal coordinate descent yield sequences of Jacobians converging toward the exact Jacobian. Using implicit differentiation, we show it is possible to leverage the non-smoothness of the inner problem to speed up the computation. Finally, we provide a bound on the error made on the hypergradient when the inner optimization problem is solved approximately. Results on regression and classification problems reveal computational benefits for hyperparameter optimization, especially when multiple hyperparameters are required.  ( 2 min )

This work uses the entropy-regularised relaxed stochastic control perspective as a principled framework for designing reinforcement learning (RL) algorithms. Herein agent interacts with the environment by generating noisy controls distributed according to the optimal relaxed policy. The noisy policies on the one hand, explore the space and hence facilitate learning but, on the other hand, introduce bias by assigning a positive probability to non-optimal actions. This exploration-exploitation trade-off is determined by the strength of entropy regularisation. We study algorithms resulting from two entropy regularisation formulations: the exploratory control approach, where entropy is added to the cost objective, and the proximal policy update approach, where entropy penalises the divergence of policies between two consecutive episodes. We analyse the finite horizon continuous-time linear-quadratic (LQ) RL problem for which both algorithms yield a Gaussian relaxed policy. We quantify the precise difference between the value functions of a Gaussian policy and its noisy evaluation and show that the execution noise must be independent across time. By tuning the frequency of sampling from relaxed policies and the parameter governing the strength of entropy regularisation, we prove that the regret, for both learning algorithms, is of the order $\mathcal{O}(\sqrt{N}) $ (up to a logarithmic factor) over $N$ episodes, matching the best known result from the literature.  ( 3 min )

This paper analyzes a popular loss function used in machine learning called the log-cosh loss function. A number of papers have been published using this loss function but, to date, no statistical analysis has been presented in the literature. In this paper, we present the distribution function from which the log-cosh loss arises. We compare it to a similar distribution, called the Cauchy distribution, and carry out various statistical procedures that characterize its properties. In particular, we examine its associated pdf, cdf, likelihood function and Fisher information. Side-by-side we consider the Cauchy and Cosh distributions as well as the MLE of the location parameter with asymptotic bias, asymptotic variance, and confidence intervals. We also provide a comparison of robust estimators from several other loss functions, including the Huber loss function and the rank dispersion function. Further, we examine the use of the log-cosh function for quantile regression. In particular, we identify a quantile distribution function from which a maximum likelihood estimator for quantile regression can be derived. Finally, we compare a quantile M-estimator based on log-cosh with robust monotonicity against another approach to quantile regression based on convolutional smoothing.  ( 2 min )

The shuffle model of differential privacy has gained significant interest as an intermediate trust model between the standard local and central models [EFMRTT19; CSUZZ19]. A key result in this model is that randomly shuffling locally randomized data amplifies differential privacy guarantees. Such amplification implies substantially stronger privacy guarantees for systems in which data is contributed anonymously [BEMMRLRKTS17]. In this work, we improve the state of the art privacy amplification by shuffling results both theoretically and numerically. Our first contribution is the first asymptotically optimal analysis of the R\'enyi differential privacy parameters for the shuffled outputs of LDP randomizers. Our second contribution is a new analysis of privacy amplification by shuffling. This analysis improves on the techniques of [FMT20] and leads to tighter numerical bounds in all parameter settings.  ( 2 min )

Hello all, We are kind of boxed into using Sagemaker at our organization and we need to do a POC for Sagemaker's model monitoring. We noticed that Sagemaker monitoring works best with models that use tabular data/features. There are a lot of example notebooks that demonstrate model monitoring capabilities, but all of the examples are based on tabular data. We are trying to apply Sagemaker's model monitoring and gather metrics from Data Quality, Model Quality, Bias Drift, Feature Attribution Drift, and Explainability and then push those metrics into CloudWatch, similar to what was done in these notebooks: https://github.com/aws/amazon-sagemaker-examples/tree/main/sagemaker_model_monitor . Unfortunately, all of our models are using unstructured data. One model is using detectron2 for object detection (https://aws.amazon.com/blogs/machine-learning/object-detection-with-detectron2-on-amazon-sagemaker/ ) and the other is an NLP model using scikit-learn. How would we integrate Sagemaker model monitoring for these types of use cases and generate important metrics for CloudWatch? Any one have any experience using Sagemaker's model monitoring for models that use NLP or images? Thanks in advance. submitted by /u/rirhun [link] [comments]  ( 88 min )

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so i had few extra emails on waitlist. And got extra invites. sonif anyone want to buy. dm or comment submitted by /u/theniwaslost [link] [comments]  ( 92 min )

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Hi Guys, Free tutorial on Machine Learning Project (End to End) in Apache Spark and Scala with Code and Explanation 1) Life Expectancy Prediction using Machine Learning 2) Predicting Possible Loan Default Using Machine Learning 3) Machine Learning Project - Loan Approval Prediction 4) Customer Segmentation using Machine Learning in Apache Spark 5) Machine Learning Project - Build Movies Recommendation Engine using Apache Spark 6) Machine Learning Project on Sales Prediction or Sale Forecast 7) Machine Learning Project on Mushroom Classification whether it's edible or poisonous 8) Machine Learning Pipeline Application on Power Plant. 9) Machine Learning Project – Predict Forest Cover 10) Machine Learning Project Predict Will it Rain Tomorrow in Australia 11) Predict Ads Click - Practice Data Analysis and Logistic Regression Prediction 12) Machine Learning Project -Drug Classification 13) Prediction task is to determine whether a person makes over 50K a year 14) Machine Learning Project - Classifying gender based on personal preferences 15) Machine Learning Project - Mobile Price Classification 16) Machine Learning Project - Predicting the Cellular Localization Sites of Proteins in Yest 17) Machine Learning Project - YouTube Spam Comment Prediction 18) Identify the Type of animal (7 Types) based on the available attributes 19) Machine Learning Project - Glass Identification 20) Predicting the age of abalone from physical measurements I hope you'll enjoy these tutorials. submitted by /u/bigdataengineer4life [link] [comments]  ( 94 min )

I have a CNN and I would like to see the features that the CNN is learning from processing all the training data. I am using a character based CNN. Do I need to insert some code into one of the convolution layers to output something? Any hints or links to discussions or code for image CNNs or character CNNs would be helpful. I’m using python submitted by /u/rich_atl [link] [comments]  ( 86 min )

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Hello all, I spent some time understanding the level of multi-lingual support with GPT-3. I must say, it works pretty well. As a result, I have introduced multi-lingual support to some of the important features in the Elephas Mac writing app. Here it is in action, https://reddit.com/link/wjq4lt/video/twaen7zqalg91/player You can check out Elephas App for more details. submitted by /u/juliarmg [link] [comments]  ( 86 min )

Hi. I'm a 20 M undergrad CompSci student. I'm highly interested in studying ML in grad school in order to join the industry afterward. As a student, I don't have much experience with the kind of talent and knowledge the industry is looking for. Is the bulk of industry work related to optimizing neural networks (using less training data to get the same performance, pruning them, etc)? Thank you so much for your help. submitted by /u/pottojam [link] [comments]  ( 88 min )

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Did anybody read some academic papers about NN in automation and share name/link or any useful information to find them? submitted by /u/Existing-Barnacle-60 [link] [comments]  ( 86 min )

Currently using RetinaFace and noticed increasing image size increases inference time. Is that because the convolution taking place takes longer or for some other reason like NMS takes longer on a larger image? submitted by /u/ZealousidealMarket22 [link] [comments]  ( 87 min )

Like the post says I built an app using Dall-e for stock images :) There's a free version so would love for you to mess around with it and give feedback https://stockpic.ai/ submitted by /u/Philip_The_PM [link] [comments]  ( 89 min )

mindlessly scrolling thru twitter a Philosopher 2208.04135.pdf (arxiv.org) post makes me think, what will happen if these words come from artificial language purposely made up by human linguist. you all may have heard that Dall E 2 has "secret" language. and the best explanation i can get is thisthisthis. now instead of going to PromptBase for your text-to-image prompt. why not use r/conlangs and sell your text-genereted image? I'm curious what will happen. submitted by /u/mrizki_lh [link] [comments]  ( 123 min )

Hi everyone! We're excited to release EvoTorch: An open-source Evolutionary Algorithm Library with multi-CPU/multi-GPU support for massive evolutionary experiments! We are researchers and engineers in industrial automation at NNAISENSE and this library is the latest version of the tool we've been using in our own work. It is built on top of PyTorch and Ray, and provides a collection of state-of-the-art evolutionary algorithms, out-of-the-box support for scaling experiments to arbitrary clusters of CPUs and GPUs, advanced tools for NeuroEvolution of any PyTorch module, and direct interfaces to modern logging libraries to track experiments and integrate with existing workflows. Our goal is to make many more engineers be able to use EAs in their workflow, and help researchers do better research. We are happy to have your feedback or questions here or on our Slack channel! EvoTorch is pip installable: pip install evotorch Read the docs: https://docs.evotorch.ai The library is completely open source under an Apache 2.0 license: https://github.com/nnaisense/evotorch submitted by /u/NaturalGradient [link] [comments]  ( 90 min )

This applies to the multivariate case too, but for simplicity I focus on the most basic example. Say your model is Y = 1 / exp[-( a + bX )]. You do a standard logistic regression to get a predicted Y given an observed X. The parameters are a and b. I care much more about the predicted Y, than about the estimated values of a and b, especially when the number of features (and thus the number of parameters) is large. Now let Y' = log[ Y / (1 - Y) ]. You solve the standard linear regression Y' = a + bX. The estimated a, b will be a little different. The predicted Y is now Y = 1 / ( 1 + exp[ -Y' ] ) where Y' is the predicted value from the linear regression. So you have two ways to solve the problem: Method 1 (first paragraph), and Method 2 (second paragraph). Method 2 is much easier and will provide similar results. My question is why no one uses Method 2, and in the rare instances where it is mentioned, it is to say that it should be avoided. Why? Note: If Y takes only on two values 0 and 1, the workaround in Method 2 is to replace 0 by ε, and 1 by 1- ε , and let ε tends to 0. submitted by /u/MLRecipes [link] [comments]  ( 92 min )

Today we launched SynapseML v0.10.0 with 175-billion parameter OpenAI language models, full support for .NET, Python, R, Scala, and Java, and an integration with MLflow, and much more. Check out the full release notes, leave a star, and explore SnyapseML Release Notes: https://github.com/microsoft/SynapseML/releases/tag/v0.10.0 Blog: https://techcommunity.microsoft.com/t5/azure-synapse-analytics-blog/exciting-new-release-of-synapseml/ba-p/3589606 ​ Whats new in SynapseML v0.10 submitted by /u/mhamilton723 [link] [comments]  ( 88 min )

Does anyone have any advice here? I wrote thoughtful and thorough rebuttals to three of my 5 reviewers at neurips who gave borderline rejects and none of them have responded and the discussion period is about to close. submitted by /u/AbjectDrink3276 [link] [comments]  ( 91 min )

Hello, I would like to introduce you to PyNeuraLogic - a deep relational learning framework. It utilizes differentiable logic programs (which you write directly in Python) to express different model architectures. For example, with the framework, you are able to express Graph Neural Networks in quite an elegant and simple way with just a few lines of code. In the latest release, we have introduced a new set of tools to work with databases, most notably a tool for transpiling deep learning models to (Postgres) SQL. This way, you can evaluate models directly in the database! We have prepared a short tutorial on those tools (link in the banner in the README). Let us know if you have any feedback or questions regarding the framework! submitted by /u/Lukas_Zahradnik [link] [comments]  ( 89 min )

Hi all -- I'm Abhijat, one of the co-organizers for a workshop bringing together people from Machine Learning, CogSci, Neuroscience, Psychology, and Human-Computer Interaction for a workshop that we hope will help us to start reaching common ground about how we think about attention in these fields! We invite you to submit papers (up to 9 pages for long papers and up to 5 pages for short papers) and/or attend the workshop to bring your own perspective to this discussion! Details below: Workshop website: https://attention-learning-workshop.github.io/ Submission deadline: Sep 15, 2022 The All Things Attention workshop aims to foster connections across disparate academic communities that conceptualize "Attention" such as Neuroscience, Psychology, Machine Learning, and Human Computer Interaction. Our speakers and panelists represent a diverse population from these very related but often disparate fields! Workshop topics of interest include (but are not limited to): Relationships between biological and artificial attention Attention for reinforcement learning and decision making Benefits and formulation of attention mechanisms for continual / lifelong learning Attention as a tool for interpretation and explanation The role of attention in human-computer interaction and human-robot interaction Attention mechanisms in Deep Neural Network (DNN) architectures This workshop will be in-person and we hope to make the talks available online. The panel discussions may not be available online. Happy to take any questions below! submitted by /u/NicePresentation4 [link] [comments]  ( 124 min )

​ https://preview.redd.it/bity3opumog91.png?width=1918&format=png&auto=webp&s=222e96927e2a373efa91360f7b3afb0e1b646e29 More info at https://outsystems-ai-reading-group.github.io/ submitted by /u/JClub [link] [comments]  ( 88 min )

I've always struggled to discover interesting repositories on GitHub. Also, when I was searching for some open-source tools, I had to open multiple links and tabs to look at similar repos. That's when I decided that GitHub lacks recommendations on the repository page. Just like in any social network, when you open a post you will see a bunch of recommended posts or videos to increase your engagement. I wrote a full article about the ML part of the project https://indexstorm.com/git-rec You can download the extension, or access the source code on our github https://github.com/indexStorm I would be very happy to hear any feedback, or if you will upvote the extension on producthunt ​ Example submitted by /u/th3luck [link] [comments]  ( 88 min )

I have a map of pixels in an image, classified as either A or B. I have a variety of variables attributed to each of those pixels. What sorts of models follow a semantic image segmentation approach that would allow me to predict pixels as A or B using the variables attributed? Preferably a more recent model (e.g. beyond U-net) submitted by /u/Boring-Violinist8291 [link] [comments]  ( 88 min )

Interesting blog post by Blaise Aguera y Arcas, a VP who leads Google’s AI group in Seattle. Can machines learn how to behave? Beyond the current news cycle about whether AIs are sentient is a more practical and immediately consequential conversation about AI value alignment: whether and how AIs can be imbued with human values. Today, this turns on the even more fundamental question of whether the newest generation of language models can or can’t understand concepts — and on what it means to understand.¹ If, as some researchers contend, language models are mere “babblers” that randomly regurgitate their training data — “garbage in, garbage out” — then real AI value alignment is, at least for now, out of reach. Seemingly, the best we can do is to carefully curate training inputs to filter out “garbage”, often referred to as “toxic content”, even as we seek to broaden data sources to better represent human diversity. There are some profound challenges implied here, including governance (who gets to define what is “toxic”?), labor (is it humane to employ people to do “toxic content” filtering?²), and scale (how can we realistically build large models under such constraints?). This skeptical view also suggests a dubious payoff for the whole language model research program, since the practical value of a mere “babbler” is unclear: what meaningful tasks could a model with no understanding of concepts be entrusted to do? If the answer is none, then why bother with them at all? Rest of the blog: https://medium.com/@blaisea/can-machines-learn-how-to-behave-42a02a57fadb submitted by /u/baylearn [link] [comments]  ( 126 min )

I’m about to use 12700k, 3090ti for studying nerf. But I’m worrying about cpu cooler. Will Noctua nh-d15 be enough? I thought Nerf wouldn’t use cpu that much. submitted by /u/No_Fig_3372 [link] [comments]  ( 87 min )

I have been thinking about an interesting reinforcement learning problem recently, which I will call the “gumball” problem. I have been mulling it over in my head and had some thoughts, so I am curious what other people think about it. The problem goes like this: Imagine you have an environment that is a 2D box which is 40% full of randomly initialized red, blue, and green gumballs. Rearrange the gumball such that only red is next to red, blue is next to blue, green is next to green, and different colors are not next to each other. Assume balls cannot be directly on top of each other. I think the solution is quite easy when you have a discrete environment: the gumballs can only sit on evenly spaced grid positions. However, I am curious how people would approach it for a continuous environment such that gumballs can be anywhere in the box. What about if we change the %space of gumballs?, what about if we double the box? Can we make a single RL system that works for all these cases?? It is a bit of a head scratcher, and I was curious what other people thought. submitted by /u/MachineBeyondMachine [link] [comments]  ( 88 min )

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Game theory also has rewards , actions and structure similar to Multi Agent RL but i did not see states mentioned in the GT text. I am finding it a bit confusing even after reading some text. submitted by /u/aabra__ka__daabra [link] [comments]  ( 90 min )

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I'm slightly confused on how the forward view is implemented to update state values. Mathematically, the updates are given as: Δ(V(s)) = α ( L - V(s)) Here L is the lamda return from state s, computed using a weighted average of all n-step returns. My question is that we won't be able to compute L for a state till we reach the end of an episode. Can the forward view update states as we visit them at each time step t? Or is it only applied offline (updates made after episode terminates)? submitted by /u/theanswerisnt42 [link] [comments]  ( 86 min )

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In November 2021, in collaboration with RStudio PBC, we announced the general availability of RStudio on Amazon SageMaker, the industry’s first fully managed RStudio Workbench IDE in the cloud. You can now bring your current RStudio license to easily migrate your self-managed RStudio environments to Amazon SageMaker in just a few simple steps. RStudio is […]  ( 8 min )

Hardly any marketer has not warmed up the metaverse hype. Has been equally hard to find someone who fully understands the implications of the expanding use cases of the metaverse. While business leaders are doing their own bit to demystify the concept—which many have seen as the internet’s evolution—definitions, rules, and approaches for metaverse initiatives… Read More »Metaverse: How Businesses Plan to Capture Real Value The post Metaverse: How Businesses Plan to Capture Real Value appeared first on Data Science Central.  ( 19 min )

Natural language processing  (NLP) has been around at least since the early 1980s, under various names. Back then, I remember machine translations of Russian language materials, for example. Those translations were just plain awful; my Navy compadres and I couldn’t make head nor tail of them. Back then, before the current crop of data scientists… Read More »Magic bullet intelligent process automation, NLP edition The post Magic bullet intelligent process automation, NLP edition appeared first on Data Science Central.  ( 20 min )

A conversation this morning prompted the question of how many Twitter accounts have between 10,000 and 20,000 followers. I hadn’t thought about the distribution numbers of followers in a while and was curious to revisit the topic. Apparently this question was more popular five years ago. When I did a few searches on the topic, […] Twitter follower distribution first appeared on John D. Cook.  ( 6 min )

I ran across a reference to Mahler the other day, not the composer Gustav Mahler but the mathematician Kurt Mahler, and looked into his work a little. A number of things have been named after Kurt Mahler, including Mahler’s inequality. Mahler’s inequality says the geometric mean of a sum bounds the sum of the geometric […] Mahler’s inequality first appeared on John D. Cook.  ( 4 min )

Posted by AJ Piergiovanni and Anelia Angelova, Research Scientists, Google Research, Brain Team Video is an ubiquitous source of media content that touches on many aspects of people’s day-to-day lives. Increasingly, real-world video applications, such as video captioning, video content analysis, and video question-answering (VideoQA), rely on models that can connect video content with text or natural language. VideoQA is particularly challenging, however, as it requires grasping both semantic information, such as objects in a scene, as well as temporal information, e.g., how things move and interact, both of which must be taken in the context of a natural-language question that holds specific intent. In addition, because videos have many frames, processing all of them to learn spatio-temp…  ( 23 min )

A glimpse into the future of AI-infused virtual worlds was on display at SIGGRAPH — the world’s largest gathering of computer graphics experts — as NVIDIA founder and CEO Jensen Huang put the finishing touches on the company’s special address. The post Future of Creativity on Display ‘In the NVIDIA Studio’ During SIGGRAPH Special Address appeared first on NVIDIA Blog.  ( 7 min )

In a swift, eye-popping special address at SIGGRAPH, NVIDIA execs described the forces driving the next era in graphics, and the company’s expanding range of tools to accelerate them. “The combination of AI and computer graphics will power the metaverse, the next evolution of the internet,” said Jensen Huang, founder and CEO of NVIDIA, kicking Read article > The post At SIGGRAPH, NVIDIA CEO Jensen Huang Illuminates Three Forces Sparking Graphics Revolution appeared first on NVIDIA Blog.  ( 9 min )

NVIDIA AI tools are enabling deep learning-powered performance capture for creators at every level: visual effects and animation studios, creative professionals — even any enthusiast with a camera. With NVIDIA Vid2Vid Cameo, creators can harness AI to capture their facial movements and expressions from any standard 2D video taken with a professional camera or smartphone. Read article > The post NVIDIA AI Makes Performance Capture Possible With Any Camera appeared first on NVIDIA Blog.  ( 5 min )

For cutting-edge visual effects and virtual production, creative teams and studios benefit from digital sets and environments that can be updated in real time. A crucial element in any virtual production environment is a sky dome, often used to provide realistic lighting for virtual environments and in-camera visual effects. Legendary studio Industrial Light & Magic Read article > The post As Far as the AI Can See: ILM Uses Omniverse DeepSearch to Create the Perfect Sky appeared first on NVIDIA Blog.  ( 5 min )

The creation of 3D objects for building scenes for games, virtual worlds including the metaverse, product design or visual effects is traditionally a meticulous process, where skilled artists balance detail and photorealism against deadlines and budget pressures. It takes a long time to make something that looks and acts as it would in the physical Read article > The post New NVIDIA Neural Graphics SDKs Make Metaverse Content Creation Available to All appeared first on NVIDIA Blog.  ( 6 min )

NVIDIA today announced NeuralVDB, which brings the power of AI to OpenVDB, the industry-standard library for simulating and rendering sparse volumetric data, such as water, fire, smoke and clouds. Building on the past decade’s development of OpenVDB, the introduction at SIGGRAPH of NeuralVDB is a game-changer for professionals working in areas like scientific computing and Read article > The post Upping the Standard: NVIDIA Introduces NeuralVDB, Bringing AI and GPU Optimization to Award-Winning OpenVDB appeared first on NVIDIA Blog.  ( 5 min )

Hailing from a small town in Italy, Matteo Bucci is determined to address some of the unknowns plaguing fundamental science.  ( 6 min )

Understand ALL customer interactions with your brand even in a language that you don’t speak. Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 11 min )

High-dimensional spatio-temporal dynamics can often be encoded in a low-dimensional subspace. Engineering applications for modeling, characterization, design, and control of such large-scale systems often rely on dimensionality reduction to make solutions computationally tractable in real-time. Common existing paradigms for dimensionality reduction include linear methods, such as the singular value decomposition (SVD), and nonlinear methods, such as variants of convolutional autoencoders (CAE). However, these encoding techniques lack the ability to efficiently represent the complexity associated with spatio-temporal data, which often requires variable geometry, non-uniform grid resolution, adaptive meshing, and/or parametric dependencies. To resolve these practical engineering challenges, we propose a general framework called Neural Implicit Flow (NIF) that enables a mesh-agnostic, low-rank representation of large-scale, parametric, spatial-temporal data. NIF consists of two modified multilayer perceptrons (MLPs): (i) ShapeNet, which isolates and represents the spatial complexity, and (ii) ParameterNet, which accounts for any other input complexity, including parametric dependencies, time, and sensor measurements. We demonstrate the utility of NIF for parametric surrogate modeling, enabling the interpretable representation and compression of complex spatio-temporal dynamics, efficient many-spatial-query tasks, and improved generalization performance for sparse reconstruction.  ( 3 min )

Biomedical research is growing at such an exponential pace that scientists, researchers, and practitioners are no more able to cope with the amount of published literature in the domain. The knowledge presented in the literature needs to be systematized in such a way that claims and hypotheses can be easily found, accessed, and validated. Knowledge graphs can provide such a framework for semantic knowledge representation from literature. However, in order to build a knowledge graph, it is necessary to extract knowledge as relationships between biomedical entities and normalize both entities and relationship types. In this paper, we present and compare few rule-based and machine learning-based (Naive Bayes, Random Forests as examples of traditional machine learning methods and DistilBERT, PubMedBERT, T5 and SciFive-based models as examples of modern deep learning transformers) methods for scalable relationship extraction from biomedical literature, and for the integration into the knowledge graphs. We examine how resilient are these various methods to unbalanced and fairly small datasets. Our experiments show that transformer-based models handle well both small (due to pre-training on a large dataset) and unbalanced datasets. The best performing model was the PubMedBERT-based model fine-tuned on balanced data, with a reported F1-score of 0.92. DistilBERT-based model followed with F1-score of 0.89, performing faster and with lower resource requirements. BERT-based models performed better then T5-based generative models.  ( 3 min )

Current deep learning solutions are well known for not informing whether they can reliably classify an example during inference. One of the most effective ways to build more reliable deep learning solutions is to improve their performance in the so-called out-of-distribution detection task, which essentially consists of "know that you do not know" or "know the unknown". In other words, out-of-distribution detection capable systems may reject performing a nonsense classification when submitted to instances of classes on which the neural network was not trained. This thesis tackles the defiant out-of-distribution detection task by proposing novel loss functions and detection scores. Uncertainty estimation is also a crucial auxiliary task in building more robust deep learning systems. Therefore, we also deal with this robustness-related task, which evaluates how realistic the probabilities presented by the deep neural network are. To demonstrate the effectiveness of our approach, in addition to a substantial set of experiments, which includes state-of-the-art results, we use arguments based on the principle of maximum entropy to establish the theoretical foundation of the proposed approaches. Unlike most current methods, our losses and scores are seamless and principled solutions that produce accurate predictions in addition to fast and efficient inference. Moreover, our approaches can be incorporated into current and future projects simply by replacing the loss used to train the deep neural network and computing a rapid score for detection.  ( 2 min )

Data-driven science is an emerging paradigm where scientific discoveries depend on the execution of computational AI models against rich, discipline-specific datasets. With modern machine learning frameworks, anyone can develop and execute computational models that reveal concepts hidden in the data that could enable scientific applications. For important and widely used datasets, computing the performance of every computational model that can run against a dataset is cost prohibitive in terms of cloud resources. Benchmarking approaches used in practice use representative datasets to infer performance without actually executing models. While practicable, these approaches limit extensive dataset profiling to a few datasets and introduce bias that favors models suited for representative datasets. As a result, each dataset's unique characteristics are left unexplored and subpar models are selected based on inference from generalized datasets. This necessitates a new paradigm that introduces dataset profiling into the model selection process. To demonstrate the need for dataset-specific profiling, we answer two questions:(1) Can scientific datasets significantly permute the rank order of computational models compared to widely used representative datasets? (2) If so, could lightweight model execution improve benchmarking accuracy? Taken together, the answers to these questions lay the foundation for a new dataset-aware benchmarking paradigm.  ( 2 min )

Recent years have seen great advancements in the development of deep learning models for histopathology image analysis in digital pathology applications, evidenced by the increasingly common deployment of these models in both research and clinical settings. Although such models have shown unprecedented performance in solving fundamental computational tasks in DP applications, they suffer from catastrophic forgetting when adapted to unseen data with transfer learning. With an increasing need for deep learning models to handle ever changing data distributions, including evolving patient population and new diagnosis assays, continual learning models that alleviate model forgetting need to be introduced in DP based analysis. However, to our best knowledge, there is no systematic study of such models for DP-specific applications. Here, we propose CL scenarios in DP settings, where histopathology image data from different sources/distributions arrive sequentially, the knowledge of which is integrated into a single model without training all the data from scratch. We then established an augmented dataset for colorectal cancer H&E classification to simulate shifts of image appearance and evaluated CL model performance in the proposed CL scenarios. We leveraged a breast tumor H&E dataset along with the colorectal cancer to evaluate CL from different tumor types. In addition, we evaluated CL methods in an online few-shot setting under the constraints of annotation and computational resources. We revealed promising results of CL in DP applications, potentially paving the way for application of these methods in clinical practice.  ( 3 min )

Hyperparameter optimization (HPO) is a well-studied research field. However, the effects and interactions of the components in an HPO pipeline are not yet well investigated. Then, we ask ourselves: can the landscape of HPO be biased by the pipeline used to evaluate individual configurations? To address this question, we proposed to analyze the effect of the HPO pipeline on HPO problems using fitness landscape analysis. Particularly, we studied the DS-2019 HPO benchmark data set, looking for patterns that could indicate evaluation pipeline malfunction, and relate them to HPO performance. Our main findings are: (i) In most instances, large groups of diverse hyperparameters (i.e., multiple configurations) yield the same ill performance, most likely associated with majority class prediction models; (ii) in these cases, a worsened correlation between the observed fitness and average fitness in the neighborhood is observed, potentially making harder the deployment of local-search based HPO strategies. Finally, we concluded that the HPO pipeline definition might negatively affect the HPO landscape.  ( 2 min )

Early diagnosis of Alzheimer's disease (AD) is crucial in facilitating preventive care and delay progression. Speech based automatic AD screening systems provide a non-intrusive and more scalable alternative to other clinical screening techniques. Scarcity of such specialist data leads to uncertainty in both model selection and feature learning when developing such systems. To this end, this paper investigates the use of feature and model combination approaches to improve the robustness of domain fine-tuning of BERT and Roberta pre-trained text encoders on limited data, before the resulting embedding features being fed into an ensemble of backend classifiers to produce the final AD detection decision via majority voting. Experiments conducted on the ADReSS20 Challenge dataset suggest consistent performance improvements were obtained using model and feature combination in system development. State-of-the-art AD detection accuracies of 91.67 percent and 93.75 percent were obtained using manual and ASR speech transcripts respectively on the ADReSS20 test set consisting of 48 elderly speakers.  ( 2 min )

Extraction of low-dimensional latent space from high-dimensional observation data is essential to construct a real-time robot controller with a world model on the extracted latent space. However, there is no established method for tuning the dimension size of the latent space automatically, suffering from finding the necessary and sufficient dimension size, i.e. the minimal realization of the world model. In this study, we analyze and improve Tsallis-based variational autoencoder (q-VAE), and reveal that, under an appropriate configuration, it always facilitates making the latent space sparse. Even if the dimension size of the pre-specified latent space is redundant compared to the minimal realization, this sparsification collapses unnecessary dimensions, allowing for easy removal of them. We experimentally verified the benefits of the sparsification by the proposed method that it can easily find the necessary and sufficient six dimensions for a reaching task with a mobile manipulator that requires a six-dimensional state space. Moreover, by planning with such a minimal-realization world model learned in the extracted dimensions, the proposed method was able to exert a more optimal action sequence in real-time, reducing the reaching accomplishment time by around 20 %. The attached video is uploaded on youtube: https://youtu.be/-QjITrnxaRs  ( 2 min )

Multi-access Edge Computing (MEC) is an emerging computing paradigm that extends cloud computing to the network edge to support resource-intensive applications on mobile devices. As a crucial problem in MEC, service migration needs to decide how to migrate user services for maintaining the Quality-of-Service when users roam between MEC servers with limited coverage and capacity. However, finding an optimal migration policy is intractable due to the dynamic MEC environment and user mobility. Many existing studies make centralized migration decisions based on complete system-level information, which is time-consuming and also lacks desirable scalability. To address these challenges, we propose a novel learning-driven method, which is user-centric and can make effective online migration decisions by utilizing incomplete system-level information. Specifically, the service migration problem is modeled as a Partially Observable Markov Decision Process (POMDP). To solve the POMDP, we design a new encoder network that combines a Long Short-Term Memory (LSTM) and an embedding matrix for effective extraction of hidden information, and further propose a tailored off-policy actor-critic algorithm for efficient training. The extensive experimental results based on real-world mobility traces demonstrate that this new method consistently outperforms both the heuristic and state-of-the-art learning-driven algorithms and can achieve near-optimal results on various MEC scenarios.  ( 3 min )

Text-guided image generation models can be prompted to generate images using nonce words adversarially designed to robustly evoke specific visual concepts. Two approaches for such generation are introduced: macaronic prompting, which involves designing cryptic hybrid words by concatenating subword units from different languages; and evocative prompting, which involves designing nonce words whose broad morphological features are similar enough to that of existing words to trigger robust visual associations. The two methods can also be combined to generate images associated with more specific visual concepts. The implications of these techniques for the circumvention of existing approaches to content moderation, and particularly the generation of offensive or harmful images, are discussed.

Ensemble learning combines several individual models to obtain better generalization performance. Currently, deep learning architectures are showing better performance compared to the shallow or traditional models. Deep ensemble learning models combine the advantages of both the deep learning models as well as the ensemble learning such that the final model has better generalization performance. This paper reviews the state-of-art deep ensemble models and hence serves as an extensive summary for the researchers. The ensemble models are broadly categorised into bagging, boosting, stacking, negative correlation based deep ensemble models, explicit/implicit ensembles, homogeneous/heterogeneous ensemble, decision fusion strategies based deep ensemble models. Applications of deep ensemble models in different domains are also briefly discussed. Finally, we conclude this paper with some potential future research directions.  ( 2 min )

With the advancement of the data acquisition techniques, multi-view learning has become a hot topic. Some multi-view learning methods assume that the multi-view data is complete, which means that all instances are present, but this too ideal. Certain tensor-based methods for handing incomplete multi-view data have emerged and have achieved better result. However, there are still some problems, such as use of traditional tensor norm which makes the computation high and is not able to handle out-of-sample. To solve these two problems, we proposed a new incomplete multi view learning method. A new tensor norm is defined to implement graph tensor data recover. The recovered graphs are then regularized to a consistent low-dimensional representation of the samples. In addition, adaptive weights are equipped to each view to adjust the importance of different views. Compared with the existing methods, our method nor only explores the consistency among views, but also obtains the low-dimensional representation of the new samples by using the learned projection matrix. An efficient algorithm based on inexact augmented Lagrange multiplier (ALM) method are designed to solve the model and convergence is proved. Experimental results on four datasets show the effectiveness of our method.  ( 2 min )

Federated learning (FL) is a trending training paradigm to utilize decentralized training data. FL allows clients to update model parameters locally for several epochs, then share them to a global model for aggregation. This training paradigm with multi-local step updating before aggregation exposes unique vulnerabilities to adversarial attacks. Adversarial training is a popular and effective method to improve the robustness of networks against adversaries. In this work, we formulate a general form of federated adversarial learning (FAL) that is adapted from adversarial learning in the centralized setting. On the client side of FL training, FAL has an inner loop to generate adversarial samples for adversarial training and an outer loop to update local model parameters. On the server side, FAL aggregates local model updates and broadcast the aggregated model. We design a global robust training loss and formulate FAL training as a min-max optimization problem. Unlike the convergence analysis in classical centralized training that relies on the gradient direction, it is significantly harder to analyze the convergence in FAL for three reasons: 1) the complexity of min-max optimization, 2) model not updating in the gradient direction due to the multi-local updates on the client-side before aggregation and 3) inter-client heterogeneity. We address these challenges by using appropriate gradient approximation and coupling techniques and present the convergence analysis in the over-parameterized regime. Our main result theoretically shows that the minimum loss under our algorithm can converge to $\epsilon$ small with chosen learning rate and communication rounds. It is noteworthy that our analysis is feasible for non-IID clients.

In order to steer e-commerce users towards making a purchase, marketers rely upon predictions of when users exit without purchasing. Previously, such predictions were based upon hidden Markov models (HMMs) due to their ability of modeling latent shopping phases with different user intents. In this work, we develop a duration-dependent hidden Markov model. In contrast to traditional HMMs, it explicitly models the duration of latent states and thereby allows states to become "sticky". The proposed model is superior to prior HMMs in detecting user exits: out of 100 user exits without purchase, it correctly identifies an additional 18. This helps marketers in better managing the online behavior of e-commerce customers. The reason for the superior performance of our model is the duration dependence, which allows our model to recover latent states that are characterized by a distorted sense of time. We finally provide a theoretical explanation for this, which builds upon the concept of "flow".

Expert interpretation of anatomical images of the human brain is the central part of neuro-radiology. Several machine learning-based techniques have been proposed to assist in the analysis process. However, the ML models typically need to be trained to perform a specific task, e.g., brain tumour segmentation or classification. Not only do the corresponding training data require laborious manual annotations, but a wide variety of abnormalities can be present in a human brain MRI - even more than one simultaneously, which renders representation of all possible anomalies very challenging. Hence, a possible solution is an unsupervised anomaly detection (UAD) system that can learn a data distribution from an unlabelled dataset of healthy subjects and then be applied to detect out of distribution samples. Such a technique can then be used to detect anomalies - lesions or abnormalities, for example, brain tumours, without explicitly training the model for that specific pathology. Several Variational Autoencoder (VAE) based techniques have been proposed in the past for this task. Even though they perform very well on controlled artificially simulated anomalies, many of them perform poorly while detecting anomalies in clinical data. This research proposes a compact version of the "context-encoding" VAE (ceVAE) model, combined with pre and post-processing steps, creating a UAD pipeline (StRegA), which is more robust on clinical data, and shows its applicability in detecting anomalies such as tumours in brain MRIs. The proposed pipeline achieved a Dice score of 0.642$\pm$0.101 while detecting tumours in T2w images of the BraTS dataset and 0.859$\pm$0.112 while detecting artificially induced anomalies, while the best performing baseline achieved 0.522$\pm$0.135 and 0.783$\pm$0.111, respectively.

Molecular dynamics simulations are an invaluable tool in numerous scientific fields. However, the ubiquitous classical force fields cannot describe reactive systems, and quantum molecular dynamics are too computationally demanding to treat large systems or long timescales. Reactive force fields based on physics or machine learning can be used to bridge the gap in time and length scales, but these force fields require substantial effort to construct and are highly specific to a given chemical composition and application. A significant limitation of machine learning models is the use of element-specific features, leading to models that scale poorly with the number of elements. This work introduces the Gaussian multipole (GMP) featurization scheme that utilizes physically-relevant multipole expansions of the electron density around atoms to yield feature vectors that interpolate between element types and have a fixed dimension regardless of the number of elements present. We combine GMP with neural networks to directly compare it to the widely used Behler-Parinello symmetry functions for the MD17 dataset, revealing that it exhibits improved accuracy and computational efficiency. Further, we demonstrate that GMP-based models can achieve chemical accuracy for the QM9 dataset, and their accuracy remains reasonable even when extrapolating to new elements. Finally, we test GMP-based models for the Open Catalysis Project (OCP) dataset, revealing comparable performance to graph convolutional deep learning models. The results indicate that this featurization scheme fills a critical gap in the construction of efficient and transferable machine-learned force fields.

Prior work on language models (LMs) shows that training on a large number of diverse tasks improves few-shot learning (FSL) performance on new tasks. We take this to the extreme, automatically extracting 413,299 tasks from internet tables - orders of magnitude more than the next-largest public datasets. Finetuning on the resulting dataset leads to improved FSL performance on Natural Language Processing (NLP) tasks, but not proportionally to dataset scale. In fact, we find that narrow subsets of our dataset sometimes outperform more diverse datasets. For example, finetuning on software documentation from support.google.com raises FSL performance by a mean of +7.5% on 52 downstream tasks, which beats training on 40 human-curated NLP datasets (+6.7%). Finetuning on various narrow datasets leads to similar broad improvements across test tasks, suggesting that the gains are not from domain adaptation but adapting to FSL in general. We do not observe clear patterns between the datasets that lead to FSL gains, leaving open questions about why certain data helps with FSL.

Reinforcement learning aims to learn optimal policies from interaction with environments whose dynamics are unknown. Many methods rely on the approximation of a value function to derive near-optimal policies. In partially observable environments, these functions depend on the complete sequence of observations and past actions, called the history. In this work, we show empirically that recurrent neural networks trained to approximate such value functions internally filter the posterior probability distribution of the current state given the history, called the belief. More precisely, we show that, as a recurrent neural network learns the Q-function, its hidden states become more and more correlated with the beliefs of state variables that are relevant to optimal control. This correlation is measured through their mutual information. In addition, we show that the expected return of an agent increases with the ability of its recurrent architecture to reach a high mutual information between its hidden states and the beliefs. Finally, we show that the mutual information between the hidden states and the beliefs of variables that are irrelevant for optimal control decreases through the learning process. In summary, this work shows that in its hidden states, a recurrent neural network approximating the Q-function of a partially observable environment reproduces a sufficient statistic from the history that is correlated to the relevant part of the belief for taking optimal actions.  ( 3 min )

The pairwise objective paradigms are an important and essential aspect of machine learning. Examples of machine learning approaches that use pairwise objective functions include differential network in face recognition, metric learning, bipartite learning, multiple kernel learning, and maximizing of area under the curve (AUC). Compared to pointwise learning, pairwise learning's sample size grows quadratically with the number of samples and thus its complexity. Researchers mostly address this challenge by utilizing an online learning system. Recent research has, however, offered adaptive sample size training for smooth loss functions as a better strategy in terms of convergence and complexity, but without a comprehensive theoretical study. In a distinct line of research, importance sampling has sparked a considerable amount of interest in finite pointwise-sum minimization. This is because of the stochastic gradient variance, which causes the convergence to be slowed considerably. In this paper, we combine adaptive sample size and importance sampling techniques for pairwise learning, with convergence guarantees for nonsmooth convex pairwise loss functions. In particular, the model is trained stochastically using an expanded training set for a predefined number of iterations derived from the stability bounds. In addition, we demonstrate that sampling opposite instances at each iteration reduces the variance of the gradient, hence accelerating convergence. Experiments on a broad variety of datasets in AUC maximization confirm the theoretical results.  ( 2 min )

In recent years, the dramatic progress in machine learning has begun to impact many areas of science and technology significantly. In the present perspective article, we explore how quantum technologies are benefiting from this revolution. We showcase in illustrative examples how scientists in the past few years have started to use machine learning and more broadly methods of artificial intelligence to analyze quantum measurements, estimate the parameters of quantum devices, discover new quantum experimental setups, protocols, and feedback strategies, and generally improve aspects of quantum computing, quantum communication, and quantum simulation. We highlight open challenges and future possibilities and conclude with some speculative visions for the next decade.

Model-agnostic meta learning (MAML) is currently one of the dominating approaches for few-shot meta-learning. Albeit its effectiveness, the optimization of MAML can be challenging due to the innate bilevel problem structure. Specifically, the loss landscape of MAML is much more complex with possibly more saddle points and local minimizers than its empirical risk minimization counterpart. To address this challenge, we leverage the recently invented sharpness-aware minimization and develop a sharpness-aware MAML approach that we term Sharp-MAML. We empirically demonstrate that Sharp-MAML and its computation-efficient variant can outperform the plain-vanilla MAML baseline (e.g., $+3\%$ accuracy on Mini-Imagenet). We complement the empirical study with the convergence rate analysis and the generalization bound of Sharp-MAML. To the best of our knowledge, this is the first empirical and theoretical study on sharpness-aware minimization in the context of bilevel learning. The code is available at https://github.com/mominabbass/Sharp-MAML.

We study contextual search, a generalization of binary search in higher dimensions, which captures settings such as feature-based dynamic pricing. Standard formulations of this problem assume that agents act in accordance with a specific homogeneous response model. In practice, however, some responses may be adversarially corrupted. Existing algorithms heavily depend on the assumed response model being (approximately) accurate for all agents and have poor performance in the presence of even a few such arbitrary misspecifications. We initiate the study of contextual search when some of the agents can behave in ways inconsistent with the underlying response model. In particular, we provide two algorithms, one based on multidimensional binary search methods and one based on gradient descent. We show that these algorithms attain near-optimal regret in the absence of adversarial corruptions and their performance degrades gracefully with the number of such agents, providing the first results for contextual search in any adversarial noise model. Our techniques draw inspiration from learning theory, game theory, high-dimensional geometry, and convex analysis.

Online Social Networks (OSNs) facilitate access to a variety of data allowing researchers to analyze users' behavior and develop user behavioral analysis models. These models rely heavily on the observed data which is usually biased due to the participation inequality. This inequality consists of three groups of online users: the lurkers - users that solely consume the content, the engagers - users that contribute little to the content creation, and the contributors - users that are responsible for creating the majority of the online content. Failing to consider the contribution of all the groups while interpreting population-level interests or sentiments may yield biased results. To reduce the bias induced by the contributors, in this work, we focus on highlighting the engagers' contributions in the observed data as they are more likely to contribute when compared to lurkers, and they comprise a bigger population as compared to the contributors. The first step in behavioral analysis of these users is to find the topics they are exposed to but did not engage with. To do so, we propose a novel framework that aids in identifying these users and estimates their topic exposure. The exposure estimation mechanism is modeled by incorporating behavioral patterns from similar contributors as well as users' demographic and profile information.

Local differential privacy (LDP) can be adopted to anonymize richer user data attributes that will be input to sophisticated machine learning (ML) tasks. However, today's LDP approaches are largely task-agnostic and often lead to severe performance loss -- they simply inject noise to all data attributes according to a given privacy budget, regardless of what features are most relevant for the ultimate task. In this paper, we address how to significantly improve the ultimate task performance with multi-dimensional user data by considering a task-aware privacy preservation problem. The key idea is to use an encoder-decoder framework to learn (and anonymize) a task-relevant latent representation of user data. We obtain an analytical near-optimal solution for the linear setting with mean-squared error (MSE) task loss. We also provide an approximate solution through a gradient-based learning algorithm for general nonlinear cases. Extensive experiments demonstrate that our task-aware approach significantly improves ultimate task accuracy compared to standard benchmark LDP approaches with the same level of privacy guarantee.

Proof-of-learning (PoL) proposes a model owner use machine learning training checkpoints to establish a proof of having expended the necessary compute for training. The authors of PoL forego cryptographic approaches and trade rigorous security guarantees for scalability to deep learning by being applicable to stochastic gradient descent and adaptive variants. This lack of formal analysis leaves the possibility that an attacker may be able to spoof a proof for a model they did not train. We contribute a formal analysis of why the PoL protocol cannot be formally (dis)proven to be robust against spoofing adversaries. To do so, we disentangle the two roles of proof verification in PoL: (a) efficiently determining if a proof is a valid gradient descent trajectory, and (b) establishing precedence by making it more expensive to craft a proof after training completes (i.e., spoofing). We show that efficient verification results in a tradeoff between accepting legitimate proofs and rejecting invalid proofs because deep learning necessarily involves noise. Without a precise analytical model for how this noise affects training, we cannot formally guarantee if a PoL verification algorithm is robust. Then, we demonstrate that establishing precedence robustly also reduces to an open problem in learning theory: spoofing a PoL post hoc training is akin to finding different trajectories with the same endpoint in non-convex learning. Yet, we do not rigorously know if priori knowledge of the final model weights helps discover such trajectories. We conclude that, until the aforementioned open problems are addressed, relying more heavily on cryptography is likely needed to formulate a new class of PoL protocols with formal robustness guarantees. In particular, this will help with establishing precedence. As a by-product of insights from our analysis, we also demonstrate two novel attacks against PoL.

Supervised deep learning needs a large amount of labeled data to achieve high performance. However, in medical imaging analysis, each site may only have a limited amount of data and labels, which makes learning ineffective. Federated learning (FL) can learn a shared model from decentralized data. But traditional FL requires fully-labeled data for training, which is very expensive to obtain. Self-supervised contrastive learning (CL) can learn from unlabeled data for pre-training, followed by fine-tuning with limited annotations. However, when adopting CL in FL, the limited data diversity on each site makes federated contrastive learning (FCL) ineffective. In this work, we propose two federated self-supervised learning frameworks for volumetric medical image segmentation with limited annotations. The first one features high accuracy and fits high-performance servers with high-speed connections. The second one features lower communication costs, suitable for mobile devices. In the first framework, features are exchanged during FCL to provide diverse contrastive data to each site for effective local CL while keeping raw data private. Global structural matching aligns local and remote features for a unified feature space among different sites. In the second framework, to reduce the communication cost for feature exchanging, we propose an optimized method FCLOpt that does not rely on negative samples. To reduce the communications of model download, we propose the predictive target network update (PTNU) that predicts the parameters of the target network. Based on PTNU, we propose the distance prediction (DP) to remove most of the uploads of the target network. Experiments on a cardiac MRI dataset show the proposed two frameworks substantially improve the segmentation and generalization performance compared with state-of-the-art techniques.

While pose estimation is an important computer vision task, it requires expensive annotation and suffers from domain shift. In this paper, we investigate the problem of domain adaptive 2D pose estimation that transfers knowledge learned on a synthetic source domain to a target domain without supervision. While several domain adaptive pose estimation models have been proposed recently, they are not generic but only focus on either human pose or animal pose estimation, and thus their effectiveness is somewhat limited to specific scenarios. In this work, we propose a unified framework that generalizes well on various domain adaptive pose estimation problems. We propose to align representations using both input-level and output-level cues (pixels and pose labels, respectively), which facilitates the knowledge transfer from the source domain to the unlabeled target domain. Our experiments show that our method achieves state-of-the-art performance under various domain shifts. Our method outperforms existing baselines on human pose estimation by up to 4.5 percent points (pp), hand pose estimation by up to 7.4 pp, and animal pose estimation by up to 4.8 pp for dogs and 3.3 pp for sheep. These results suggest that our method is able to mitigate domain shift on diverse tasks and even unseen domains and objects (e.g., trained on horse and tested on dog). Our code will be publicly available at: https://github.com/VisionLearningGroup/UDA_PoseEstimation.

In this paper, we present the convergence analysis of momentum methods in training a two-layer over-parameterized ReLU neural network, where the number of parameters is significantly larger than that of training instances. Existing works on momentum methods show that the heavy-ball method (HB) and Nesterov's accelerated method (NAG) share the same limiting ordinary differential equation (ODE), which leads to identical convergence rate. From a high-resolution dynamical view, we show that HB differs from NAG in terms of the convergence rate. In addition, our findings provide tighter upper bounds on convergence for the high-resolution ODEs of HB and NAG.

The design of machine learning systems often requires trading off different objectives, for example, prediction error and energy consumption for deep neural networks (DNNs). Typically, there is no single design that performs well in all objectives, therefore, finding Pareto-optimal designs is of interest. Often, measuring different objectives incurs different costs; for example, the cost of measuring the prediction error of DNNs is orders of magnitude higher than that of measuring the energy consumption of a pre-trained DNN as it requires re-training the DNN. Current state-of-the-art methods do not take this difference in objective evaluation cost into account, potentially wasting expensive evaluations of objective functions for little information gain. In this paper, we develop a novel decoupled cost-aware approach we call Flexible Multi-Objective Bayesian Optimization (FlexiBO) to address this issue. FlexiBO weights the improvement of the hypervolume of the Pareto region by the measurement cost of each objective. This helps us in balancing the expense of collecting new information with the knowledge gained through objective evaluations, preventing us from performing expensive measurements for little to no gain. We evaluate FlexiBO on seven state-of-the-art DNNs for image recognition, natural language processing (NLP), and speech-to-text translation. Our results indicate that, given the same total experimental budget, FlexiBO discovers designs with 4.8% to 12.4% lower hypervolume error than the next best state-of-the-art multi-objective optimization method depending on a particular DNN architecture.

Many studies confirmed that a proper traffic state representation is more important than complex algorithms for the classical traffic signal control (TSC) problem. In this paper, we (1) present a novel, flexible and efficient method, namely advanced max pressure (Advanced-MP), taking both running and queuing vehicles into consideration to decide whether to change current signal phase; (2) inventively design the traffic movement representation with the efficient pressure and effective running vehicles from Advanced-MP, namely advanced traffic state (ATS); and (3) develop a reinforcement learning (RL) based algorithm template, called Advanced-XLight, by combining ATS with the latest RL approaches, and generate two RL algorithms, namely "Advanced-MPLight" and "Advanced-CoLight" from Advanced-XLight. Comprehensive experiments on multiple real-world datasets show that: (1) the Advanced-MP outperforms baseline methods, and it is also efficient and reliable for deployment; and (2) Advanced-MPLight and Advanced-CoLight can achieve the state-of-the-art

Diffusion Probabilistic models have been shown to generate state-of-the-art results on several competitive image synthesis benchmarks but lack a low-dimensional, interpretable latent space, and are slow at generation. On the other hand, Variational Autoencoders (VAEs) typically have access to a low-dimensional latent space but exhibit poor sample quality. Despite recent advances, VAEs usually require high-dimensional hierarchies of the latent codes to generate high-quality samples. We present DiffuseVAE, a novel generative framework that integrates VAE within a diffusion model framework, and leverage this to design a novel conditional parameterization for diffusion models. We show that the resulting model can improve upon the unconditional diffusion model in terms of sampling efficiency while also equipping diffusion models with the low-dimensional VAE inferred latent code. Furthermore, we show that the proposed model can generate high-resolution samples and exhibits synthesis quality comparable to state-of-the-art models on standard benchmarks. Lastly, we show that the proposed method can be used for controllable image synthesis and also exhibits out-of-the-box capabilities for downstream tasks like image super-resolution and denoising. For reproducibility, our source code is publicly available at \url{https://github.com/kpandey008/DiffuseVAE}.  ( 3 min )

This paper proposes a new family of algorithms for the online optimisation of composite objectives. The algorithms can be interpreted as the combination of the exponentiated gradient and $p$-norm algorithm. Combined with algorithmic ideas of adaptivity and optimism, the proposed algorithms achieve a sequence-dependent regret upper bound, matching the best-known bounds for sparse target decision variables. Furthermore, the algorithms have efficient implementations for popular composite objectives and constraints and can be converted to stochastic optimisation algorithms with the optimal accelerated rate for smooth objectives.  ( 2 min )

As humans and animals learn in the natural world, they encounter distributions of entities, situations and events that are far from uniform. Typically, a relatively small set of experiences are encountered frequently, while many important experiences occur only rarely. The highly-skewed, heavy-tailed nature of reality poses particular learning challenges that humans and animals have met by evolving specialised memory systems. By contrast, most popular RL environments and benchmarks involve approximately uniform variation of properties, objects, situations or tasks. How will RL algorithms perform in worlds (like ours) where the distribution of environment features is far less uniform? To explore this question, we develop three complementary RL environments where the agent's experience varies according to a Zipfian (discrete power law) distribution. On these benchmarks, we find that standard Deep RL architectures and algorithms acquire useful knowledge of common situations and tasks, but fail to adequately learn about rarer ones. To understand this failure better, we explore how different aspects of current approaches may be adjusted to help improve performance on rare events, and show that the RL objective function, the agent's memory system and self-supervised learning objectives can all influence an agent's ability to learn from uncommon experiences. Together, these results show that learning robustly from skewed experience is a critical challenge for applying Deep RL methods beyond simulations or laboratories, and our Zipfian environments provide a basis for measuring future progress towards this goal.

Black-box heterogeneous treatment effect (HTE) models are increasingly being used to create personalized policies that assign individuals to their optimal treatments. However, they are difficult to understand, and can be burdensome to maintain in a production environment. In this paper, we present a scalable, interpretable personalized experimentation system, implemented and deployed in production at Meta. The system works in a multiple treatment, multiple outcome setting typical at Meta to: (1) learn explanations for black-box HTE models; (2) generate interpretable personalized policies. We evaluate the methods used in the system on publicly available data and Meta use cases, and discuss lessons learnt during the development of the system.

We present a method that propagates point-wise feature representations across shapes within a collection for the purpose of 3D shape segmentation. This is achieved through a cross-shape attention operation that assesses the degree of interaction between points on different shapes and mediates feature propagation. For each test shape, our method finds shapes in an input collection that are suited for executing such cross-shape attention operations. The resulting point-wise feature representations lead to more consistent 3D shape segmentation results, as demonstrated in our experiments.

The quality of signal propagation in message-passing graph neural networks (GNNs) strongly influences their expressivity as has been observed in recent works. In particular, for prediction tasks relying on long-range interactions, recursive aggregation of node features can lead to an undesired phenomenon called "oversquashing". We present a framework for analyzing oversquashing based on information contraction. Our analysis is guided by a model of reliable computation due to von Neumann that lends a new insight into oversquashing as signal quenching in noisy computation graphs. Building on this, we propose a graph rewiring algorithm aimed at alleviating oversquashing. Our algorithm employs a random local edge flip primitive motivated by an expander graph construction. We compare the spectral expansion properties of our algorithm with that of an existing curvature-based non-local rewiring strategy. Synthetic experiments show that while our algorithm in general has a slower rate of expansion, it is overall computationally cheaper, preserves the node degrees exactly and never disconnects the graph.

The development of IoT technology enables a variety of sensors can be integrated into mobile devices. Human Activity Recognition (HAR) based on sensor data has become an active research topic in the field of machine learning and ubiquitous computing. However, due to the inconsistent frequency of human activities, the amount of data for each activity in the human activity dataset is imbalanced. Considering the limited sensor resources and the high cost of manually labeled sensor data, human activity recognition is facing the challenge of highly imbalanced activity datasets. In this paper, we propose Balancing Sensor Data Generative Adversarial Networks (BSDGAN) to generate sensor data for minority human activities. The proposed BSDGAN consists of a generator model and a discriminator model. Considering the extreme imbalance of human activity dataset, an autoencoder is employed to initialize the training process of BSDGAN, ensure the data features of each activity can be learned. The generated activity data is combined with the original dataset to balance the amount of activity data across human activity classes. We deployed multiple human activity recognition models on two publicly available imbalanced human activity datasets, WISDM and UNIMIB. Experimental results show that the proposed BSDGAN can effectively capture the data features of real human activity sensor data, and generate realistic synthetic sensor data. Meanwhile, the balanced activity dataset can effectively help the activity recognition model to improve the recognition accuracy.

This is a tutorial and survey paper for nonlinear dimensionality and feature extraction methods which are based on the Laplacian of graph of data. We first introduce adjacency matrix, definition of Laplacian matrix, and the interpretation of Laplacian. Then, we cover the cuts of graph and spectral clustering which applies clustering in a subspace of data. Different optimization variants of Laplacian eigenmap and its out-of-sample extension are explained. Thereafter, we introduce the locality preserving projection and its kernel variant as linear special cases of Laplacian eigenmap. Versions of graph embedding are then explained which are generalized versions of Laplacian eigenmap and locality preserving projection. Finally, diffusion map is introduced which is a method based on Laplacian of data and random walks on the data graph.

The ability to predict future visual observations conditioned on past observations and motor commands can enable embodied agents to plan solutions to a variety of tasks in complex environments. This work shows that we can create good video prediction models by pre-training transformers via masked visual modeling. Our approach, named MaskViT, is based on two simple design decisions. First, for memory and training efficiency, we use two types of window attention: spatial and spatiotemporal. Second, during training, we mask a variable percentage of tokens instead of a fixed mask ratio. For inference, MaskViT generates all tokens via iterative refinement where we incrementally decrease the masking ratio following a mask scheduling function. On several datasets we demonstrate that MaskViT outperforms prior works in video prediction, is parameter efficient, and can generate high-resolution videos (256x256). Further, we demonstrate the benefits of inference speedup (up to 512x) due to iterative decoding by using MaskViT for planning on a real robot. Our work suggests that we can endow embodied agents with powerful predictive models by leveraging the general framework of masked visual modeling with minimal domain knowledge.

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works. By applying change-of-variable, the solution can be equivalently simplified to an exponentially weighted integral of the neural network. Based on our formulation, we propose DPM-Solver, a fast dedicated high-order solver for diffusion ODEs with the convergence order guarantee. DPM-Solver is suitable for both discrete-time and continuous-time DPMs without any further training. Experimental results show that DPM-Solver can generate high-quality samples in only 10 to 20 function evaluations on various datasets. We achieve 4.70 FID in 10 function evaluations and 2.87 FID in 20 function evaluations on the CIFAR10 dataset, and a $4\sim 16\times$ speedup compared with previous state-of-the-art training-free samplers on various datasets.

Surgical workflow anticipation can give predictions on what steps to conduct or what instruments to use next, which is an essential part of the computer-assisted intervention system for surgery, e.g. workflow reasoning in robotic surgery. However, current approaches are limited to their insufficient expressive power for relationships between instruments. Hence, we propose a graph representation learning framework to comprehensively represent instrument motions in the surgical workflow anticipation problem. In our proposed graph representation, we maps the bounding box information of instruments to the graph nodes in the consecutive frames and build inter-frame/inter-instrument graph edges to represent the trajectory and interaction of the instruments over time. This design enhances the ability of our network on modeling both the spatial and temporal patterns of surgical instruments and their interactions. In addition, we design a multi-horizon learning strategy to balance the understanding of various horizons indifferent anticipation tasks, which significantly improves the model performance in anticipation with various horizons. Experiments on the Cholec80 dataset demonstrate the performance of our proposed method can exceed the state-of-the-art method based on richer backbones, especially in instrument anticipation (1.27 v.s. 1.48 for inMAE; 1.48 v.s. 2.68 for eMAE). To the best of our knowledge, we are the first to introduce a spatial-temporal graph representation into surgical workflow anticipation.

The R\'{e}nyi cross-entropy measure between two distributions, a generalization of the Shannon cross-entropy, was recently used as a loss function for the improved design of deep learning generative adversarial networks. In this work, we examine the properties of this measure and derive closed-form expressions for it when one of the distributions is fixed and when both distributions belong to the exponential family. We also analytically determine a formula for the cross-entropy rate for stationary Gaussian processes and for finite-alphabet Markov sources.

Q-learning is a popular reinforcement learning algorithm. This algorithm has however been studied and analysed mainly in the infinite horizon setting. There are several important applications which can be modeled in the framework of finite horizon Markov decision processes. We develop a version of Q-learning algorithm for finite horizon Markov decision processes (MDP) and provide a full proof of its stability and convergence. Our analysis of stability and convergence of finite horizon Q-learning is based entirely on the ordinary differential equations (O.D.E) method. We also demonstrate the performance of our algorithm on a setting of random MDP as well as on an application on smart grids.

The low dimensional manifold hypothesis posits that the data found in many applications, such as those involving natural images, lie (approximately) on low dimensional manifolds embedded in a high dimensional Euclidean space. In this setting, a typical neural network defines a function that takes a finite number of vectors in the embedding space as input. However, one often needs to consider evaluating the optimized network at points outside the training distribution. This paper considers the case in which the training data is distributed in a linear subspace of $\mathbb R^d$. We derive estimates on the variation of the learning function, defined by a neural network, in the direction transversal to the subspace. We study the potential regularization effects associated with the network's depth and noise in the codimension of the data manifold. We also present additional side effects in training due to the presence of noise.

The multi-armed bandit (MAB) problem is a widely studied model in the field of reinforcement learning. This paper considers two cases of the classical MAB model -- the light-tailed reward distributions and the heavy-tailed, respectively. For the light-tailed (i.e. sub-Gaussian) case, we propose the UCB1-LT policy, achieving the optimal $O(\log T)$ of the order of regret growth. For the heavy-tailed case, we introduce the extended robust UCB policy, which is an extension of the UCB policies proposed by Bubeck et al. (2013) and Lattimore (2017). The previous UCB policies require the knowledge of an upper bound on specific moments of reward distributions, which can be hard to acquire in some practical situations. Our extended robust UCB eliminates this requirement while still achieving the optimal regret growth order $O(\log T)$, thus providing a broadened application area of the UCB policies for the heavy-tailed reward distributions.

Deep network architectures struggle to continually learn new tasks without forgetting the previous tasks. A recent trend indicates that dynamic architectures based on an expansion of the parameters can reduce catastrophic forgetting efficiently in continual learning. However, existing approaches often require a task identifier at test-time, need complex tuning to balance the growing number of parameters, and barely share any information across tasks. As a result, they struggle to scale to a large number of tasks without significant overhead. In this paper, we propose a transformer architecture based on a dedicated encoder/decoder framework. Critically, the encoder and decoder are shared among all tasks. Through a dynamic expansion of special tokens, we specialize each forward of our decoder network on a task distribution. Our strategy scales to a large number of tasks while having negligible memory and time overheads due to strict control of the parameters expansion. Moreover, this efficient strategy doesn't need any hyperparameter tuning to control the network's expansion. Our model reaches excellent results on CIFAR100 and state-of-the-art performances on the large-scale ImageNet100 and ImageNet1000 while having less parameters than concurrent dynamic frameworks.

There has been an increase in research in developing machine learning models for mental health detection or prediction in recent years due to increased mental health issues in society. Effective use of mental health prediction or detection models can help mental health practitioners re-define mental illnesses more objectively than currently done, and identify illnesses at an earlier stage when interventions may be more effective. However, there is still a lack of standard in evaluating bias in such machine learning models in the field, which leads to challenges in providing reliable predictions and in addressing disparities. This lack of standards persists due to factors such as technical difficulties, complexities of high dimensional clinical health data, etc., which are especially true for physiological signals. This along with prior evidence of relations between some physiological signals with certain demographic identities restates the importance of exploring bias in mental health prediction models that utilize physiological signals. In this work, we aim to perform a fairness analysis and implement a multi-task learning based bias mitigation method on anxiety prediction models using ECG data. Our method is based on the idea of epistemic uncertainty and its relationship with model weights and feature space representation. Our analysis showed that our anxiety prediction base model introduced some bias with regards to age, income, ethnicity, and whether a participant is born in the U.S. or not, and our bias mitigation method performed better at reducing the bias in the model, when compared to the reweighting mitigation technique. Our analysis on feature importance also helped identify relationships between heart rate variability and multiple demographic groupings.

We study the prediction with expert advice setting, where the aim is to produce a decision by combining the decisions generated by a set of experts, e.g., independently running algorithms. We achieve the min-max optimal dynamic regret under the prediction with expert advice setting, i.e., we can compete against time-varying (not necessarily fixed) combinations of expert decisions in an optimal manner. Our end-algorithm is truly online with no prior information, such as the time horizon or loss ranges, which are commonly used by different algorithms in the literature. Both our regret guarantees and the min-max lower bounds are derived with the general consideration that the expert losses can have time-varying properties and are possibly unbounded. Our algorithm can be adapted for restrictive scenarios regarding both loss feedback and decision making. Our guarantees are universal, i.e., our end-algorithm can provide regret guarantee against any competitor sequence in a min-max optimal manner with logarithmic complexity. Note that, to our knowledge, for the prediction with expert advice problem, our algorithms are the first to produce such universally optimal, adaptive and truly online guarantees with no prior knowledge.

We explore value decomposition solutions for multi-agent deep reinforcement learning in the popular paradigm of centralized training with decentralized execution(CTDE). As the recognized best solution to CTDE, Weighted QMIX is cutting-edge on StarCraft Multi-agent Challenge (SMAC), with a weighting scheme implemented on QMIX to place more emphasis on the optimal joint actions. However, the fixed weight requires manual tuning according to the application scenarios, which painfully prevents Weighted QMIX from being used in broader engineering applications. In this paper, we first demonstrate the flaw of Weighted QMIX using an ordinary One-Step Matrix Game (OMG), that no matter how the weight is chosen, Weighted QMIX struggles to deal with non-monotonic value decomposition problems with a large variance of reward distributions. Then we characterize the problem of value decomposition as an Underfitting One-edged Robust Regression problem and make the first attempt to give a solution to the value decomposition problem from the perspective of information-theoretical learning. We introduce the Maximum Correntropy Criterion (MCC) as a cost function to dynamically adapt the weight to eliminate the effects of minimum in reward distributions. We simplify the implementation and propose a new algorithm called MCVD. A preliminary experiment conducted on OMG shows that MCVD could deal with non-monotonic value decomposition problems with a large tolerance of kernel bandwidth selection. Further experiments are carried out on Cooperative-Navigation and multiple SMAC scenarios, where MCVD exhibits unprecedented ease of implementation, broad applicability, and stability.

This paper proposes a theoretical and computational framework for training and robustness verification of implicit neural networks based upon non-Euclidean contraction theory. The basic idea is to cast the robustness analysis of a neural network as a reachability problem and use (i) the $\ell_{\infty}$-norm input-output Lipschitz constant and (ii) the tight inclusion function of the network to over-approximate its reachable sets. First, for a given implicit neural network, we use $\ell_{\infty}$-matrix measures to propose sufficient conditions for its well-posedness, design an iterative algorithm to compute its fixed points, and provide upper bounds for its $\ell_\infty$-norm input-output Lipschitz constant. Second, we introduce a related embedded network and show that the embedded network can be used to provide an $\ell_\infty$-norm box over-approximation of the reachable sets of the original network. Moreover, we use the embedded network to design an iterative algorithm for computing the upper bounds of the original system's tight inclusion function. Third, we use the upper bounds of the Lipschitz constants and the upper bounds of the tight inclusion functions to design two algorithms for the training and robustness verification of implicit neural networks. Finally, we apply our algorithms to train implicit neural networks on the MNIST dataset and compare the robustness of our models with the models trained via existing approaches in the literature.

In class-incremental learning, the model is expected to learn new classes continually while maintaining knowledge on previous classes. The challenge here lies in preserving the model's ability to effectively represent prior classes in the feature space, while adapting it to represent incoming new classes. We propose two distillation-based objectives for class incremental learning that leverage the structure of the feature space to maintain accuracy on previous classes, as well as enable learning the new classes. In our first objective, termed cross-space clustering (CSC), we propose to use the feature space structure of the previous model to characterize directions of optimization that maximally preserve the class - directions that all instances of a specific class should collectively optimize towards, and those that they should collectively optimize away from. Apart from minimizing forgetting, this indirectly encourages the model to cluster all instances of a class in the current feature space, and gives rise to a sense of herd-immunity, allowing all samples of a class to jointly combat the model from forgetting the class. Our second objective termed controlled transfer (CT) tackles incremental learning from an understudied perspective of inter-class transfer. CT explicitly approximates and conditions the current model on the semantic similarities between incrementally arriving classes and prior classes. This allows the model to learn classes in such a way that it maximizes positive forward transfer from similar prior classes, thus increasing plasticity, and minimizes negative backward transfer on dissimilar prior classes, whereby strengthening stability. We perform extensive experiments on two benchmark datasets, adding our method (CSCCT) on top of three prominent class-incremental learning methods. We observe consistent performance improvement on a variety of experimental settings.

Adam is one of the most influential adaptive stochastic algorithms for training deep neural networks, which has been pointed out to be divergent even in the simple convex setting via a few simple counterexamples. Many attempts, such as decreasing an adaptive learning rate, adopting a big batch size, incorporating a temporal decorrelation technique, seeking an analogous surrogate, \textit{etc.}, have been tried to promote Adam-type algorithms to converge. In contrast with existing approaches, we introduce an alternative easy-to-check sufficient condition, which merely depends on the parameters of the base learning rate and combinations of historical second-order moments, to guarantee the global convergence of generic Adam for solving large-scale non-convex stochastic optimization. This observation, coupled with this sufficient condition, gives much deeper interpretations on the divergence of Adam. On the other hand, in practice, mini-Adam and distributed-Adam are widely used without any theoretical guarantee. We further give an analysis on how the batch size or the number of nodes in the distributed system affects the convergence of Adam, which theoretically shows that mini-batch and distributed Adam can be linearly accelerated by using a larger mini-batch size or a larger number of nodes.At last, we apply the generic Adam and mini-batch Adam with the sufficient condition for solving the counterexample and training several neural networks on various real-world datasets. Experimental results are exactly in accord with our theoretical analysis.  ( 3 min )

Vertical federated learning is considered, where an active party, having access to true class labels, wishes to build a classification model by utilizing more features from a passive party, which has no access to the labels, to improve the model accuracy. In the prediction phase, with logistic regression as the classification model, several inference attack techniques are proposed that the adversary, i.e., the active party, can employ to reconstruct the passive party's features, regarded as sensitive information. These attacks, which are mainly based on a classical notion of the center of a set, i.e., the Chebyshev center, are shown to be superior to those proposed in the literature. Moreover, several theoretical performance guarantees are provided for the aforementioned attacks. Subsequently, we consider the minimum amount of information that the adversary needs to fully reconstruct the passive party's features. In particular, it is shown that when the passive party holds one feature, and the adversary is only aware of the signs of the parameters involved, it can perfectly reconstruct that feature when the number of predictions is large enough. Next, as a defense mechanism, a privacy-preserving scheme is proposed that worsen the adversary's reconstruction attacks, while preserving the full benefits that VFL brings to the active party. Finally, experimental results demonstrate the effectiveness of the proposed attacks and the privacy-preserving scheme.

In this letter we propose a data-driven approach to optimizing the algebraic connectivity of a team of robots. While a considerable amount of research has been devoted to this problem, we lack a method that scales in a manner suitable for online applications for more than a handful of agents. To that end, we propose a supervised learning approach with a convolutional neural network (CNN) that learns to place communication agents from an expert that uses an optimization-based strategy. We demonstrate the performance of our CNN on canonical line and ring topologies, 105k randomly generated test cases, and larger teams not seen during training. We also show how our system can be applied to dynamic robot teams through a Unity-based simulation. After training, our system produces connected configurations over an order of magnitude faster than the optimization-based scheme for teams of 10-20 agents.

Given the rise of large-scale training regimes, adapting pre-trained models to a wide range of downstream tasks has become a standard approach in machine learning. While large benefits in empirical performance have been observed, it is not yet well understood how robustness properties transfer from a pre-trained model to a downstream task. We prove that the robustness of a predictor on downstream tasks can be bound by the robustness of its underlying representation, irrespective of the pre-training protocol. Taken together, our results precisely characterize what is required of the representation function for reliable performance upon deployment.

A novel neural network (NN) approach is proposed for constrained optimization. The proposed method uses a specially designed NN architecture and training/optimization procedure called Neural Optimization Machine (NOM). The objective functions for the NOM are approximated with NN models. The optimization process is conducted by the neural network's built-in backpropagation algorithm. The NOM solves optimization problems by extending the architecture of the NN objective function model. This is achieved by appropriately designing the NOM's structure, activation function, and loss function. The NN objective function can have arbitrary architectures and activation functions. The application of the NOM is not limited to specific optimization problems, e.g., linear and quadratic programming. It is shown that the increase of dimension of design variables does not increase the computational cost significantly. Then, the NOM is extended for multiobjective optimization. Finally, the NOM is tested using numerical optimization problems and applied for the optimal design of processing parameters in additive manufacturing.

Various machine-learning models, including deep neural network models, have already been developed to predict deleteriousness of missense (non-synonymous) mutations. Still, potential improvements to the current state of the art may benefit from a fresh look at the biological problem using more sophisticated self-adaptive machine-learning approaches. Recent advances in the natural language processing field show transformer models-a type of deep neural network-to be particularly powerful at modeling sequence information with context dependence. In this study, we introduce MutFormer, a transformer-based model for the prediction of deleterious missense mutations. MutFormer uses reference and mutated protein sequences from the human genome as the primary features. It uses a combination of self-attention layers and convolutional layers to learn both long-range and short-range dependencies between amino acid mutations in a protein sequence. We pre-trained MutFormer on reference protein sequences and mutated protein sequences resulting from common genetic variants observed in human populations. Next, we examined different fine-tuning methods to successfully apply the model to deleteriousness prediction of missense mutations. Finally, we evaluated MutFormer's performance on multiple testing data sets. We found that MutFormer showed similar or improved performance over a variety of existing tools, including those that used conventional machine-learning approaches (e.g., support vector machine, convolutional neural network, recurrent neural network). We conclude that MutFormer successfully considers sequence features that are not explored in previous studies and could potentially complement existing computational predictions or empirically generated functional scores to improve our understanding of disease variants.

Data-driven discovery of PDEs has made tremendous progress recently, and many canonical PDEs have been discovered successfully for proof-of-concept. However, determining the most proper PDE without prior references remains challenging in terms of practical applications. In this work, a physics-informed information criterion (PIC) is proposed to measure the parsimony and precision of the discovered PDE synthetically. The proposed PIC achieves state-of-the-art robustness to highly noisy and sparse data on seven canonical PDEs from different physical scenes, which confirms its ability to handle difficult situations. The PIC is also employed to discover unrevealed macroscale governing equations from microscopic simulation data in an actual physical scene. The results show that the discovered macroscale PDE is precise and parsimonious, and satisfies underlying symmetries, which facilitates understanding and simulation of the physical process. The proposition of PIC enables practical applications of PDE discovery in discovering unrevealed governing equations in broader physical scenes.

Avoiding overfitting is a central challenge in machine learning, yet many large neural networks readily achieve zero training loss. This puzzling contradiction necessitates new approaches to the study of overfitting. Here we quantify overfitting via residual information, defined as the bits in fitted models that encode noise in training data. Information efficient learning algorithms minimize residual information while maximizing the relevant bits, which are predictive of the unknown generative models. We solve this optimization to obtain the information content of optimal algorithms for a linear regression problem and compare it to that of randomized ridge regression. Our results demonstrate the fundamental tradeoff between residual and relevant information and characterize the relative information efficiency of randomized regression with respect to optimal algorithms. Finally, using results from random matrix theory, we reveal the information complexity of learning a linear map in high dimensions and unveil information-theoretic analogs of double and multiple descent phenomena.

Thermal Interface Materials (TIMs) are widely used in electronic packaging. Increasing power density and limited assembly space pose high demands on thermal management. Large cooling surfaces need to be covered efficiently. When joining the heatsink, previously dispensed TIM spreads over the cooling surface. Recommendations on the dispensing pattern exist only for simple surface geometries such as rectangles. For more complex geometries, Computational Fluid Dynamics (CFD) simulations are used in combination with manual experiments. While CFD simulations offer a high accuracy, they involve simulation experts and are rather expensive to set up. We propose a lightweight heuristic to model the spreading behavior of TIM. We further speed up the calculation by training an Artificial Neural Network (ANN) on data from this model. This offers rapid computation times and further supplies gradient information. This ANN can not only be used to aid manual pattern design of TIM, but also enables an automated pattern optimization. We compare this approach against the state-of-the-art and use real product samples for validation.

Neural networks have achieved the state-of-the-art performance in various machine learning fields, yet the incorporation of malicious perturbations with input data (adversarial example) is shown to fool neural networks' predictions. This would lead to potential risks for real-world applications such as endangering autonomous driving and messing up text identification. To mitigate such risks, an understanding of how adversarial examples operate is critical, which however remains unresolved. Here we demonstrate that adversarial perturbations contain human-recognizable information, which is the key conspirator responsible for a neural network's erroneous prediction, in contrast to a widely discussed argument that human-imperceptible information plays the critical role in fooling a network. This concept of human-recognizable information allows us to explain key features related to adversarial perturbations, including the existence of adversarial examples, the transferability among different neural networks, and the increased neural network interpretability for adversarial training. Two unique properties in adversarial perturbations that fool neural networks are uncovered: masking and generation. A special class, the complementary class, is identified when neural networks classify input images. The human-recognizable information contained in adversarial perturbations allows researchers to gain insight on the working principles of neural networks and may lead to develop techniques that detect/defense adversarial attacks.

The automatic detection and localization of anatomical features in retinal imaging data are relevant for many aspects. In this work, we follow a data-centric approach to optimize classifier training for optic nerve head detection and localization in optical coherence tomography en face images of the retina. We examine the effect of domain knowledge driven spatial complexity reduction on the resulting optic nerve head segmentation and localization performance. We present a machine learning approach for segmenting optic nerve head in 2D en face projections of 3D widefield swept source optical coherence tomography scans that enables the automated assessment of large amounts of data. Evaluation on manually annotated 2D en face images of the retina demonstrates that training of a standard U-Net can yield improved optic nerve head segmentation and localization performance when the underlying pixel-level binary classification task is spatially relaxed through domain knowledge.

The problem of secure source coding with multiple terminals is extended by considering a remote source whose noisy measurements are the correlated random variables used for secure source reconstruction. The main additions to the problem include 1) all terminals noncausally observe a noisy measurement of the remote source; 2) a private key is available to all legitimate terminals; 3) the public communication link between the encoder and decoder is rate-limited; and 4) the secrecy leakage to the eavesdropper is measured with respect to the encoder input, whereas the privacy leakage is measured with respect to the remote source. Exact rate regions are characterized for a lossy source coding problem with a private key, remote source, and decoder side information under security, privacy, communication, and distortion constraints. By replacing the distortion constraint with a reliability constraint, we obtain the exact rate region also for the lossless case. Furthermore, the lossy rate region for scalar discrete-time Gaussian sources and measurement channels is established.

Bearing fault diagnosis is of great importance to decrease the damage risk of rotating machines and further improve economic profits. Recently, machine learning, represented by deep learning, has made great progress in bearing fault diagnosis. However, applying deep learning to such a task still faces a major problem. A deep network is notoriously a black box. It is difficult to know how a model classifies faulty signals from the normal and the physics principle behind the classification. To solve the interpretability issue, first, we prototype a convolutional network with recently-invented quadratic neurons. This quadratic neuron empowered network can qualify the noisy bearing data due to the strong feature representation ability of quadratic neurons. Moreover, we independently derive the attention mechanism from a quadratic neuron, referred to as qttention, by factorizing the learned quadratic function in analogue to the attention, making the model with quadratic neurons inherently interpretable. Experiments on the public and our datasets demonstrate that the proposed network can facilitate effective and interpretable bearing fault diagnosis.

In the past several years, convolutional neural networks (CNNs) have proven their capability to predict characteristic quantities in porous media research directly from pore-space geometries. Due to the frequently observed significant reduction in computation time in comparison to classical computational methods, bulk parameter prediction via CNNs is especially compelling, e.g. for effective diffusion. While the current literature is mainly focused on fully saturated porous media, the partially saturated case is also of high interest. Due to the qualitatively different and more complex geometries of the domain available for diffusive transport present in this case, standard CNNs tend to lose robustness and accuracy with lower saturation rates. In this paper, we demonstrate the ability of CNNs to perform predictions of relative diffusion directly from full pore-space geometries. As such, our CNN conveniently fuses diffusion prediction and a well-established morphological model which describes phase distributions in partially saturated porous media.

We introduce the task of microblog opinion summarisation (MOS) and share a dataset of 3100 gold-standard opinion summaries to facilitate research in this domain. The dataset contains summaries of tweets spanning a 2-year period and covers more topics than any other public Twitter summarisation dataset. Summaries are abstractive in nature and have been created by journalists skilled in summarising news articles following a template separating factual information (main story) from author opinions. Our method differs from previous work on generating gold-standard summaries from social media, which usually involves selecting representative posts and thus favours extractive summarisation models. To showcase the dataset's utility and challenges, we benchmark a range of abstractive and extractive state-of-the-art summarisation models and achieve good performance, with the former outperforming the latter. We also show that fine-tuning is necessary to improve performance and investigate the benefits of using different sample sizes.

Network completion is a harder problem than link prediction because it does not only try to infer missing links but also nodes. Different methods have been proposed to solve this problem, but few of them employed structural information - the similarity of local connection patterns. In this paper, we propose a model named C-GIN to capture the local structural patterns from the observed part of a network based on the Graph Auto-Encoder framework equipped with Graph Isomorphism Network model and generalize these patterns to complete the whole graph. Experiments and analysis on synthetic and real-world networks from different domains show that competitive performance can be achieved by C-GIN with less information being needed, and higher accuracy compared with baseline prediction models in most cases can be obtained. We further proposed a metric "Reachable Clustering Coefficient(CC)" based on network structure. And experiments show that our model perform better on a network with higher Reachable CC.

Making fair decisions is crucial to ethically implementing machine learning algorithms in social settings. In this work, we consider the celebrated definition of counterfactual fairness [Kusner et al., NeurIPS, 2017]. We begin by showing that an algorithm which satisfies counterfactual fairness also satisfies demographic parity, a far simpler fairness constraint. Similarly, we show that all algorithms satisfying demographic parity can be trivially modified to satisfy counterfactual fairness. Together, our results indicate that counterfactual fairness is basically equivalent to demographic parity, which has important implications for the growing body of work on counterfactual fairness. We then validate our theoretical findings empirically, analyzing three existing algorithms for counterfactual fairness against three simple benchmarks. We find that two simple benchmark algorithms outperform all three existing algorithms -- in terms of fairness, accuracy, and efficiency -- on several data sets. Our analysis leads us to formalize a concrete fairness goal: to preserve the order of individuals within protected groups. We believe transparency around the ordering of individuals within protected groups makes fair algorithms more trustworthy. By design, the two simple benchmark algorithms satisfy this goal while the existing algorithms for counterfactual fairness do not.

This paper proposes Differential-Critic Generative Adversarial Network (DiCGAN) to learn the distribution of user-desired data when only partial instead of the entire dataset possesses the desired property. DiCGAN generates desired data that meets the user's expectations and can assist in designing biological products with desired properties. Existing approaches select the desired samples first and train regular GANs on the selected samples to derive the user-desired data distribution. However, the selection of the desired data relies on global knowledge and supervision over the entire dataset. DiCGAN introduces a differential critic that learns from pairwise preferences, which are local knowledge and can be defined on a part of training data. The critic is built by defining an additional ranking loss over the Wasserstein GAN's critic. It endows the difference of critic values between each pair of samples with the user preference and guides the generation of the desired data instead of the whole data. For a more efficient solution to ensure data quality, we further reformulate DiCGAN as a constrained optimization problem, based on which we theoretically prove the convergence of our DiCGAN. Extensive experiments on a diverse set of datasets with various applications demonstrate that our DiCGAN achieves state-of-the-art performance in learning the user-desired data distributions, especially in the cases of insufficient desired data and limited supervision.

Counterfactual examples (CFs) are one of the most popular methods for attaching post-hoc explanations to machine learning (ML) models. However, existing CF generation methods either exploit the internals of specific models or depend on each sample's neighborhood, thus they are hard to generalize for complex models and inefficient for large datasets. This work aims to overcome these limitations and introduces ReLAX, a model-agnostic algorithm to generate optimal counterfactual explanations. Specifically, we formulate the problem of crafting CFs as a sequential decision-making task and then find the optimal CFs via deep reinforcement learning (DRL) with discrete-continuous hybrid action space. Extensive experiments conducted on several tabular datasets have shown that ReLAX outperforms existing CF generation baselines, as it produces sparser counterfactuals, is more scalable to complex target models to explain, and generalizes to both classification and regression tasks. Finally, to demonstrate the usefulness of our method in a real-world use case, we leverage CFs generated by ReLAX to suggest actions that a country should take to reduce the risk of mortality due to COVID-19. Interestingly enough, the actions recommended by our method correspond to the strategies that many countries have actually implemented to counter the COVID-19 pandemic.

Many policy gradient methods optimize the objective, $\max_{\pi}E_{\pi}[A_{\pi_{old}}(s,a)]$, where $A_{\pi_{old}}$ is the advantage function of the old policy. The objective is not feasible to be directly optimized because we don't have samples for the new policy yet. Thus the importance sampling (IS) ratio arises, giving an IS corrected objective or the CPI objective, $\max_{\pi}E_{\pi_{old}}[\frac{\pi(s,a)}{\pi_{old}(s,a)}A_{\pi_{old}}(s,a)]$. However, optimizing this objective is still problematic due to extremely large IS ratios that can cause algorithms to fail catastrophically. Thus PPO uses a surrogate objective, and seeks an approximation to the solution in a clipped policy space, $\Pi_{\epsilon}=\{\pi; |\frac{\pi(s,a)}{\pi_{old}(s,a)}-1|<\epsilon \}$, where $\epsilon$ is a small positive number. One question that drives this paper is, {\em How grounded is this hypothesis that $\Pi_{\epsilon}$ contains good enough policies?} {\bfseries Does there exist better policies outside of $\mathbf{\Pi_{\epsilon}}$?} Using a novel surrogate objective that employs the sigmoid function resulting in an interesting way of exploration, we found that there indeed exists much better policies out of $\Pi_{\epsilon}$; In addition, these policies are located very far from it. We compare with several best-performing algorithms on both discrete and continuous tasks and the results showed that {\em PPO is insufficient in off-policyness}, and our new method P3O is {\em more off-policy} than PPO according to the "off-policyness" measured by the {\em DEON off-policy metric}, and P3O {\em \bfseries explores in a much larger policy space} than PPO.

Pancreatic cancer is one of the global leading causes of cancer-related deaths. Despite the success of Deep Learning in computer-aided diagnosis and detection (CAD) methods, little attention has been paid to the detection of Pancreatic Cancer. We propose a method for detecting pancreatic tumor that utilizes clinically-relevant features in the surrounding anatomical structures, thereby better aiming to exploit the radiologist's knowledge compared to other, conventional deep learning approaches. To this end, we collect a new dataset consisting of 99 cases with pancreatic ductal adenocarcinoma (PDAC) and 97 control cases without any pancreatic tumor. Due to the growth pattern of pancreatic cancer, the tumor may not be always visible as a hypodense lesion, therefore experts refer to the visibility of secondary external features that may indicate the presence of the tumor. We propose a method based on a U-Net-like Deep CNN that exploits the following external secondary features: the pancreatic duct, common bile duct and the pancreas, along with a processed CT scan. Using these features, the model segments the pancreatic tumor if it is present. This segmentation for classification and localization approach achieves a performance of 99% sensitivity (one case missed) and 99% specificity, which realizes a 5% increase in sensitivity over the previous state-of-the-art method. The model additionally provides location information with reasonable accuracy and a shorter inference time compared to previous PDAC detection methods. These results offer a significant performance improvement and highlight the importance of incorporating the knowledge of the clinical expert when developing novel CAD methods.

This paper proposes a method for lifelong learning of Recurrent Neural Networks, such as NNARX, ESN, LSTM, and GRU, to be used as plant models in control system synthesis. The problem is significant because in many practical applications it is required to adapt the model when new information is available and/or the system undergoes changes, without the need to store an increasing amount of data as time proceeds. Indeed, in this context, many problems arise, such as the well known Catastrophic Forgetting and Capacity Saturation ones. We propose an adaptation algorithm inspired by Moving Horizon Estimators, deriving conditions for its convergence. The described method is applied to a simulated chemical plant, already adopted as a challenging benchmark in the existing literature. The main results achieved are discussed.

We propose the molecular omics network (MOOMIN) a multimodal graph neural network used by AstraZeneca oncologists to predict the synergy of drug combinations for cancer treatment. Our model learns drug representations at multiple scales based on a drug-protein interaction network and metadata. Structural properties of compounds and proteins are encoded to create vertex features for a message-passing scheme that operates on the bipartite interaction graph. Propagated messages form multi-resolution drug representations which we utilized to create drug pair descriptors. By conditioning the drug combination representations on the cancer cell type we define a synergy scoring function that can inductively score unseen pairs of drugs. Experimental results on the synergy scoring task demonstrate that MOOMIN outperforms state-of-the-art graph fingerprinting, proximity preserving node embedding, and existing deep learning approaches. Further results establish that the predictive performance of our model is robust to hyperparameter changes. We demonstrate that the model makes high-quality predictions over a wide range of cancer cell line tissues, out-of-sample predictions can be validated with external synergy databases, and that the proposed model is data efficient at learning.

Photon-counting CT (PCCT) offers improved diagnostic performance through better spatial and energy resolution, but developing high-quality image reconstruction methods that can deal with these large datasets is challenging. Model-based solutions incorporate models of the physical acquisition in order to reconstruct more accurate images, but are dependent on an accurate forward operator and present difficulties with finding good regularization. Another approach is deep-learning reconstruction, which has shown great promise in CT. However, fully data-driven solutions typically need large amounts of training data and lack interpretability. To combine the benefits of both methods, while minimizing their respective drawbacks, it is desirable to develop reconstruction algorithms that combine both model-based and data-driven approaches. In this work, we present a novel deep-learning solution for material decomposition in PCCT, based on an unrolled/unfolded iterative network. We evaluate two cases: a learned post-processing, which implicitly utilizes model knowledge, and a learned gradient-descent, which has explicit model-based components in the architecture. With our proposed techniques, we solve a challenging PCCT simulation case: three-material decomposition in abdomen imaging with low dose, iodine contrast, and a very small training sample support. In this scenario, our approach outperforms a maximum likelihood estimation, a variational method, as well as a fully-learned network.

Many fundamental problems in machine learning can be formulated by the convex program \[ \min_{\theta\in R^d}\ \sum_{i=1}^{n}f_{i}(\theta), \] where each $f_i$ is a convex, Lipschitz function supported on a subset of $d_i$ coordinates of $\theta$. One common approach to this problem, exemplified by stochastic gradient descent, involves sampling one $f_i$ term at every iteration to make progress. This approach crucially relies on a notion of uniformity across the $f_i$'s, formally captured by their condition number. In this work, we give an algorithm that minimizes the above convex formulation to $\epsilon$-accuracy in $\widetilde{O}(\sum_{i=1}^n d_i \log (1 /\epsilon))$ gradient computations, with no assumptions on the condition number. The previous best algorithm independent of the condition number is the standard cutting plane method, which requires $O(nd \log (1/\epsilon))$ gradient computations. As a corollary, we improve upon the evaluation oracle complexity for decomposable submodular minimization by Axiotis et al. (ICML 2021). Our main technical contribution is an adaptive procedure to select an $f_i$ term at every iteration via a novel combination of cutting-plane and interior-point methods.

Liquid metals (LM) are embedded in an elastomer matrix to obtain soft composites with unique thermal, dielectric, and mechanical properties. They have applications in soft robotics, biomedical engineering, and wearable electronics. By linking the structure to the properties of these materials, it is possible to perform material design rationally. Liquid-metal embedded elastomers (LMEEs) have been designed for targeted electro-thermo-mechanical properties by semi-supervised learning of structure-property (SP) links in a variational autoencoder network (VAE). The design parameters are the microstructural descriptors that are physically meaningful and have affine relationships with the synthetization of the studied particulate composite. The machine learning (ML) model is trained on a generated dataset of microstructural descriptors with their multifunctional property quantities as their labels. Sobol sequence is used for in-silico Design of Experiment (DoE) by sampling the design space to generate a comprehensive dataset of 3D microstructure realizations via a packing algorithm. The mechanical responses of the generated microstructures are simulated using a previously developed Finite Element (FE) model, considering the surface tension induced by LM inclusions, while the linear thermal and dielectric constants are homogenized with the help of our in-house Fast Fourier Transform (FFT) package. Following the training by minimization of an appropriate loss function, the VAE encoder acts as the surrogate of numerical solvers of the multifunctional homogenizations, and its decoder is used for the material design. Our results indicate the satisfactory performance of the surrogate model and the inverse calculator with respect to high-fidelity numerical simulations validated with LMEE experimental results.

For energy-efficient computation in specialized neuromorphic hardware, we present spiking neural coding, an instantiation of a family of artificial neural models grounded in the theory of predictive coding. This model, the first of its kind, works by operating in a never-ending process of "guess-and-check", where neurons predict the activity values of one another and then adjust their own activities to make better future predictions. The interactive, iterative nature of our system fits well into the continuous time formulation of sensory stream prediction and, as we show, the model's structure yields a local synaptic update rule, which can be used to complement or as an alternative to online spike-timing dependent plasticity. In this article, we experiment with an instantiation of our model consisting of leaky integrate-and-fire units. However, the framework within which our system is situated can naturally incorporate more complex neurons such as the Hodgkin-Huxley model. Our experimental results in pattern recognition demonstrate the potential of the model when binary spike trains are the primary paradigm for inter-neuron communication. Notably, spiking neural coding is competitive in terms of classification performance and experiences less forgetting when learning from task sequence, offering a more computationally economical, biologically-plausible alternative to popular artificial neural networks.

Blackbox adversarial attacks can be categorized into transfer- and query-based attacks. Transfer methods do not require any feedback from the victim model, but provide lower success rates compared to query-based methods. Query attacks often require a large number of queries for success. To achieve the best of both approaches, recent efforts have tried to combine them, but still require hundreds of queries to achieve high success rates (especially for targeted attacks). In this paper, we propose a novel method for blackbox attacks via surrogate ensemble search (BASES) that can generate highly successful blackbox attacks using an extremely small number of queries. We first define a perturbation machine that generates a perturbed image by minimizing a weighted loss function over a fixed set of surrogate models. To generate an attack for a given victim model, we search over the weights in the loss function using queries generated by the perturbation machine. Since the dimension of the search space is small (same as the number of surrogate models), the search requires a small number of queries. We demonstrate that our proposed method achieves better success rate with at least 30x fewer queries compared to state-of-the-art methods on different image classifiers trained with ImageNet (including VGG-19, DenseNet-121, and ResNext-50). In particular, our method requires as few as 3 queries per image (on average) to achieve more than a 90% success rate for targeted attacks and 1-2 queries per image for over a 99% success rate for non-targeted attacks. Our method is also effective on Google Cloud Vision API and achieved a 91% non-targeted attack success rate with 2.9 queries per image. We also show that the perturbations generated by our proposed method are highly transferable and can be adopted for hard-label blackbox attacks.

A complementary label (CL) simply indicates an incorrect class of an example, but learning with CLs results in multi-class classifiers that can predict the correct class. Unfortunately, the problem setting only allows a single CL for each example, which notably limits its potential since our labelers may easily identify multiple CLs (MCLs) to one example. In this paper, we propose a novel problem setting to allow MCLs for each example and two ways for learning with MCLs. In the first way, we design two wrappers that decompose MCLs into many single CLs, so that we could use any method for learning with CLs. However, the supervision information that MCLs hold is conceptually diluted after decomposition. Thus, in the second way, we derive an unbiased risk estimator; minimizing it processes each set of MCLs as a whole and possesses an estimation error bound. We further improve the second way into minimizing properly chosen upper bounds. Experiments show that the former way works well for learning with MCLs but the latter is even better.

Offline reinforcement learning has shown great promise in leveraging large pre-collected datasets for policy learning, allowing agents to forgo often-expensive online data collection. However, to date, offline reinforcement learning from visual observations with continuous action spaces has been relatively under-explored, and there is a lack of understanding of where the remaining challenges lie. In this paper, we seek to establish simple baselines for continuous control in the visual domain. We show that simple modifications to two state-of-the-art vision-based online reinforcement learning algorithms, DreamerV2 and DrQ-v2, suffice to outperform prior work and establish a competitive baseline. We rigorously evaluate these algorithms on both existing offline datasets and a new testbed for offline reinforcement learning from visual observations that better represents the data distributions present in real-world offline RL problems, and open-source our code and data to facilitate progress in this important domain. Finally, we present and analyze several key desiderata unique to offline RL from visual observations, including visual distractions and visually identifiable changes in dynamics.

Generalization in reinforcement learning (RL) is of importance for real deployment of RL algorithms. Various schemes are proposed to address the generalization issues, including transfer learning, multi-task learning and meta learning, as well as the robust and adversarial reinforcement learning. However, there is not a unified formulation of the various schemes, as well as the comprehensive comparisons of methods across different schemes. In this work, we propose a game-theoretic framework for the generalization in reinforcement learning, named GiRL, where an RL agent is trained against an adversary over a set of tasks, where the adversary can manipulate the distributions over tasks within a given threshold. With different configurations, GiRL can reduce the various schemes mentioned above. To solve GiRL, we adapt the widely-used method in game theory, policy space response oracle (PSRO) with the following three important modifications: i) we use model-agnostic meta learning (MAML) as the best-response oracle, ii) we propose a modified projected replicated dynamics, i.e., R-PRD, which ensures the computed meta-strategy of the adversary fall in the threshold, and iii) we also propose a protocol for the few-shot learning of the multiple strategies during testing. Extensive experiments on MuJoCo environments demonstrate that our proposed methods can outperform existing baselines, e.g., MAML.

Despite the progress in utilizing deep learning to automate chest radiograph interpretation and disease diagnosis tasks, change between sequential Chest X-rays (CXRs) has received limited attention. Monitoring the progression of pathologies that are visualized through chest imaging poses several challenges in anatomical motion estimation and image registration, i.e., spatially aligning the two images and modeling temporal dynamics in change detection. In this work, we propose CheXRelNet, a neural model that can track longitudinal pathology change relations between two CXRs. CheXRelNet incorporates local and global visual features, utilizes inter-image and intra-image anatomical information, and learns dependencies between anatomical region attributes, to accurately predict disease change for a pair of CXRs. Experimental results on the Chest ImaGenome dataset show increased downstream performance compared to baselines. Code is available at https://github.com/PLAN-Lab/ChexRelNet

Norms help regulate a society. Norms may be explicit (represented in structured form) or implicit. We address the emergence of explicit norms by developing agents who provide and reason about explanations for norm violations in deciding sanctions and identifying alternative norms. These agents use a genetic algorithm to produce norms and reinforcement learning to learn the values of these norms. We find that applying explanations leads to norms that provide better cohesion and goal satisfaction for the agents. Our results are stable for societies with differing attitudes of generosity.  ( 2 min )

The neural tangent kernel is a kernel function defined over the parameter distribution of an infinite width neural network. Despite the impracticality of this limit, the neural tangent kernel has allowed for a more direct study of neural networks and a gaze through the veil of their black box. More recently, it has been shown theoretically that the Laplace kernel and neural tangent kernel share the same reproducing kernel Hilbert space in the space of $\mathbb{S}^{d-1}$ alluding to their equivalence. In this work, we analyze the practical equivalence of the two kernels. We first do so by matching the kernels exactly and then by matching posteriors of a Gaussian process. Moreover, we analyze the kernels in $\mathbb{R}^d$ and experiment with them in the task of regression.  ( 2 min )

Reinforcement learning (RL) provides a naturalistic framing for learning through trial and error, which is appealing both because of its simplicity and effectiveness and because of its resemblance to how humans and animals acquire skills through experience. However, real-world embodied learning, such as that performed by humans and animals, is situated in a continual, non-episodic world, whereas common benchmark tasks in RL are episodic, with the environment resetting between trials to provide the agent with multiple attempts. This discrepancy presents a major challenge when attempting to take RL algorithms developed for episodic simulated environments and run them on real-world platforms, such as robots. In this paper, we aim to address this discrepancy by laying out a framework for Autonomous Reinforcement Learning (ARL): reinforcement learning where the agent not only learns through its own experience, but also contends with lack of human supervision to reset between trials. We introduce a simulated benchmark EARL around this framework, containing a set of diverse and challenging simulated tasks reflective of the hurdles introduced to learning when only a minimal reliance on extrinsic intervention can be assumed. We show that standard approaches to episodic RL and existing approaches struggle as interventions are minimized, underscoring the need for developing new algorithms for reinforcement learning with a greater focus on autonomy.

For general quadratically-constrained quadratic programming (QCQP), we propose a parabolic relaxation described with convex quadratic constraints. An interesting property of the parabolic relaxation is that the original non-convex feasible set is contained on the boundary of the parabolic relaxation. Under certain assumptions, this property enables one to recover near-optimal feasible points via objective penalization. Moreover, through an appropriate change of coordinates that requires a one-time computation of an optimal basis, the easier-to-solve parabolic relaxation can be made as strong as a semidefinite programming (SDP) relaxation, which can be effective in accelerating algorithms that require solving a sequence of convex surrogates. The majority of theoretical and computational results are given in the next part of this work [57].  ( 2 min )

Liquidity Providers on Automated Market Makers generate millions of USD in transaction fees daily. However, the net value of a Liquidity Position is vulnerable to price changes in the underlying assets in the pool. The dominant measure of loss in a Liquidity Position is Impermanent Loss. Impermanent Loss for Constant Function Market Makers has been widely studied. We propose a new metric to measure Liquidity Position PNL based on price movement from the underlying assets. We show how this new metric more appropriately measures the change in the net value of a Liquidity Position as a function of price movement in the underlying assets. Our second contribution is an algorithm to delta hedge arbitrary Liquidity Positions on both uniform liquidity Automated Market Makers (such as Uniswap v2) and concentrated liquidity Automated Market Makers (such as Uniswap v3) via a combination of derivatives.  ( 2 min )

In this work, our goal is to characterize the reliability of the solutions that can be obtained by the linear ordering problem (LOP) which is used to order $M$ objects from their pairwise comparisons. We adopt a probabilistic perspective, where the results of pairwise comparisons are modeled as Bernoulli variables with a common parameter which we estimate from the observed data. Estimation by brute-force enumeration has a prohibitive complexity of O($M!$) we thus reformulate the problem and introduce a concept of Slater's spectrum which generalizes Slater's index, and next, devising an efficient algorithm to find the spectrum, we lower the complexity to O($M^2 2^M$) which is manageable for moderate-size LOPs. Furthermore, with a minor modification of the algorithm, we are able to find all solutions of the LOP. Numerical examples on synthetic and real-world data are shown and the Python-implemented algorithms are publicly available.

Many problems in computer vision have recently been tackled using models whose predictions cannot be easily interpreted, most commonly deep neural networks. Surrogate explainers are a popular post-hoc interpretability method to further understand how a model arrives at a particular prediction. By training a simple, more interpretable model to locally approximate the decision boundary of a non-interpretable system, we can estimate the relative importance of the input features on the prediction. Focusing on images, surrogate explainers, e.g., LIME, generate a local neighbourhood around a query image by sampling in an interpretable domain. However, these interpretable domains have traditionally been derived exclusively from the intrinsic features of the query image, not taking into consideration the manifold of the data the non-interpretable model has been exposed to in training (or more generally, the manifold of real images). This leads to suboptimal surrogates trained on potentially low probability images. We address this limitation by aligning the local neighbourhood on which the surrogate is trained with the original training data distribution, even when this distribution is not accessible. We propose two approaches to do so, namely (1) altering the method for sampling the local neighbourhood and (2) using perceptual metrics to convey some of the properties of the distribution of natural images.

Uncertainty estimation in deep learning has recently emerged as a crucial area of interest to advance reliability and robustness in safety-critical applications. While there have been many proposed methods that either focus on distance-aware model uncertainties for out-of-distribution detection or on input-dependent label uncertainties for in-distribution calibration, both of these types of uncertainty are often necessary. In this work, we propose the HetSNGP method for jointly modeling the model and data uncertainty. We show that our proposed model affords a favorable combination between these two types of uncertainty and thus outperforms the baseline methods on some challenging out-of-distribution datasets, including CIFAR-100C, ImageNet-C, and ImageNet-A. Moreover, we propose HetSNGP Ensemble, an ensembled version of our method which additionally models uncertainty over the network parameters and outperforms other ensemble baselines.

Modern machine learning systems achieve great success when trained on large datasets. However, these datasets usually contain sensitive information (e.g. medical records, face images), leading to serious privacy concerns. Differentially private generative models (DPGMs) emerge as a solution to circumvent such privacy concerns by generating privatized sensitive data. Similar to other differentially private (DP) learners, the major challenge for DPGM is also how to achieve a subtle balance between utility and privacy. We propose DP$^2$-VAE, a novel training mechanism for variational autoencoders (VAE) with provable DP guarantees and improved utility via \emph{pre-training on private data}. Under the same DP constraints, DP$^2$-VAE minimizes the perturbation noise during training, and hence improves utility. DP$^2$-VAE is very flexible and easily amenable to many other VAE variants. Theoretically, we study the effect of pretraining on private data. Empirically, we conduct extensive experiments on image datasets to illustrate our superiority over baselines under various privacy budgets and evaluation metrics.

Despite their great success, neural networks still remain as black-boxes due to the lack of interpretability. Here we propose a new analyzing method, namely the weight pathway analysis (WPA), to make them transparent. We consider weights in pathways that link neurons longitudinally from input neurons to output neurons, or simply weight pathways, as the basic units for understanding a neural network, and decompose a neural network into a series of subnetworks of such weight pathways. A visualization scheme of the subnetworks is presented that gives longitudinal perspectives of the network like radiographs, making the internal structures of the network visible. Impacts of parameter adjustments or structural changes to the network can be visualized via such radiographs. Characteristic maps are established for subnetworks to characterize the enhancement or suppression of the influence of input samples on each output neuron. Using WPA, we discover that neural network store and utilize information in a holographic way, that is, subnetworks encode all training samples in a coherent structure and thus only by investigating the weight pathways can one explore samples stored in the network. Furthermore, with WPA, we reveal fundamental learning modes of a neural network: the linear learning mode and the nonlinear learning mode. The former extracts linearly separable features while the latter extracts linearly inseparable features. The hidden-layer neurons self-organize into different classes for establishing learning modes and for reaching the training goal. The finding of learning modes provides us the theoretical ground for understanding some of the fundamental problems of machine learning, such as the dynamics of learning process, the role of linear and nonlinear neurons, as well as the role of network width and depth.

Training recurrent neural networks is known to be difficult when time dependencies become long. Consequently, training standard gated cells such as the gated recurrent unit (GRU) and the long short-term memory (LSTM) on benchmarks where long-term memory is required remains an arduous task. In this work, we show that although most classical networks have only one stable equilibrium at initialisation, learning on tasks that require long-term memory only occurs once the number of network stable equilibria increases; a property known as multistability. Multistability is often not easily attained by initially monostable networks, making learning of long-term dependencies difficult. This insight leads to the design of a novel, general way to initialise any recurrent network connectivity through a procedure called "warmup" to improve its capability to learn arbitrarily long time dependencies. This initialisation procedure is designed to maximise network reachable multistability, i.e., the number of attractors within the network that can be reached through relevant input trajectories. Warming up is performed before training, using stochastic gradient descent on a specifically designed loss. We show on information restitution, sequence classification, and reinforcement learning benchmarks that warming up greatly improves recurrent neural network performance for multiple recurrent cell types, but sometimes impedes precision. We therefore introduce a parallel recurrent network structure with a partial warmup that is shown to greatly improve learning of long-term dependencies in sequences while maintaining high levels of precision. This approach provides a general framework for improving learning abilities of any recurrent cell type when long-term memory is required.

We propose and assess an alternative quantum generator architecture in the context of generative adversarial learning for Monte Carlo event generation, used to simulate particle physics processes at the Large Hadron Collider (LHC). We validate this methodology by implementing the quantum network on artificial data generated from known underlying distributions. The network is then applied to Monte Carlo-generated datasets of specific LHC scattering processes. The new quantum generator architecture leads to a generalization of the state-of-the-art implementations, achieving smaller Kullback-Leibler divergences even with shallow-depth networks. Moreover, the quantum generator successfully learns the underlying distribution functions even if trained with small training sample sets; this is particularly interesting for data augmentation applications. We deploy this novel methodology on two different quantum hardware architectures, trapped-ion and superconducting technologies, to test its hardware-independent viability.

The online assignment problem plays an important role in operational research and computer science which is why immense attention has been given to improving its solution quality. Due to the incomplete information about the input, it is difficult for online algorithms to produce the optimal solution. The quality of the solution of an online algorithm is measured using a competitive ratio. No online deterministic algorithm can achieve a competitive ratio better than (2n-1). It has been shown that advice in online computation improves the lower bound of the competitive ratio of online problems. Advice in online computation can be interpreted as additional information for the online algorithm to compensate for the lack of information about the whole input sequence. In this study, we investigate how introducing machine-learned advice could improve the competitive ratio for this problem. We provide an online algorithm for the online assignment problem by simulating a machine learning algorithm that predicts the whole input in advance. We utilize an optimal offline algorithm to provide a matching solution from the predicted input. Furthermore, we investigate how the prediction error of machine learning affects the competitive ratio of the online algorithm. We utilize a benchmark data set to perform our empirical analysis. We show that as the Machine Learning prediction error increases, the solution quality decreases. Moreover, the magnitude of error is directly proportional to the size of the input. This result is analogous to the competitive ratio of the best deterministic algorithm for the online assignment problem which is dependent also on the parameter n.

In federated learning for medical image analysis, the safety of the learning protocol is paramount. Such settings can often be compromised by adversaries that target either the private data used by the federation or the integrity of the model itself. This requires the medical imaging community to develop mechanisms to train collaborative models that are private and robust against adversarial data. In response to these challenges, we propose a practical open-source framework to study the effectiveness of combining differential privacy, model compression and adversarial training to improve the robustness of models against adversarial samples under train- and inference-time attacks. Using our framework, we achieve competitive model performance, a significant reduction in model's size and an improved empirical adversarial robustness without a severe performance degradation, critical in medical image analysis.

As a typical application of deep learning, physics-informed neural network (PINN) {has been} successfully used to find numerical solutions of partial differential equations (PDEs), but how to improve the limited accuracy is still a great challenge for PINN. In this work, we introduce a new method, symmetry-enhanced physics informed neural network (SPINN) where the invariant surface conditions induced by the Lie symmetries or non-classical symmetries of PDEs are embedded into the loss function in PINN, to improve the accuracy of PINN for solving the forward and inverse problems of PDEs. We test the effectiveness of SPINN for the forward problem via two groups of ten independent numerical experiments using different numbers of collocation points and neurons for the heat equation, Korteweg-de Vries (KdV) equation and potential Burgers {equations} respectively, and for the inverse problem by considering different layers and neurons as well as different training points for the Burgers equation in potential form. The numerical results show that SPINN performs better than PINN with fewer training points and simpler architecture of neural network. Furthermore, we discuss the computational overhead of SPINN in terms of the relative computational cost to PINN and show that the training time of SPINN has no obvious increases, even less than PINN for certain cases.

Precision phenomenological studies of high-multiplicity scattering processes at collider experiments present a substantial theoretical challenge and are vitally important ingredients in experimental measurements. Machine learning technology has the potential to dramatically optimise simulations for complicated final states. We investigate the use of neural networks to approximate matrix elements, studying the case of loop-induced diphoton production through gluon fusion. We train neural network models on one-loop amplitudes from the NJet C++ library and interface them with the Sherpa Monte Carlo event generator to provide the matrix element within a realistic hadronic collider simulation. Computing some standard observables with the models and comparing to conventional techniques, we find excellent agreement in the distributions and a reduced total simulation time by a factor of thirty.

Entity Alignment (EA) has attracted widespread attention in both academia and industry, which aims to seek entities with same meanings from different Knowledge Graphs (KGs). There are substantial multi-step relation paths between entities in KGs, indicating the semantic relations of entities. However, existing methods rarely consider path information because not all natural paths facilitate for EA judgment. In this paper, we propose a more effective entity alignment framework, RPR-RHGT, which integrates relation and path structure information, as well as the heterogeneous information in KGs. Impressively, an initial reliable path reasoning algorithm is developed to generate the paths favorable for EA task from the relation structures of KGs, which is the first algorithm in the literature to successfully use unrestricted path information. In addition, to efficiently capture heterogeneous features in entity neighborhoods, a relation-aware heterogeneous graph transformer is designed to model the relation and path structures of KGs. Extensive experiments on three well-known datasets show RPR-RHGT significantly outperforms 11 state-of-the-art methods, exceeding the best performing baseline up to 8.62% on Hits@1. We also show its better performance than the baselines on different ratios of training set, and harder datasets.

The Granger Causality (GC) test is a famous statistical hypothesis test for investigating if the past of one time series affects the future of the other. It helps in answering the question whether one time series is helpful in forecasting. Standard traditional approaches to Granger causality detection commonly assume linear dynamics, but such simplification does not hold in many real-world applications, e.g., neuroscience or genomics that are inherently non-linear. In such cases, imposing linear models such as Vector Autoregressive (VAR) models can lead to inconsistent estimation of true Granger Causal interactions. Machine Learning (ML) can learn the hidden patterns in the datasets specifically Deep Learning (DL) has shown tremendous promise in learning the non-linear dynamics of complex systems. Recent work of Tank et al propose to overcome the issue of linear simplification in VAR models by using neural networks combined with sparsity-inducing penalties on the learn-able weights. In this work, we build upon ideas introduced by Tank et al. We propose several new classes of models that can handle underlying non-linearity. Firstly, we present the Learned Kernal VAR(LeKVAR) model-an extension of VAR models that also learns kernel parametrized by a neural net. Secondly, we show one can directly decouple lags and individual time series importance via decoupled penalties. This decoupling provides better scaling and allows us to embed lag selection into RNNs. Lastly, we propose a new training algorithm that supports mini-batching, and it is compatible with commonly used adaptive optimizers such as Adam.he proposed techniques are evaluated on several simulated datasets inspired by real-world applications.We also apply these methods to the Electro-Encephalogram (EEG) data for an epilepsy patient to study the evolution of GC before , during and after seizure across the 19 EEG channels.

This is a tutorial and survey paper on Boltzmann Machine (BM), Restricted Boltzmann Machine (RBM), and Deep Belief Network (DBN). We start with the required background on probabilistic graphical models, Markov random field, Gibbs sampling, statistical physics, Ising model, and the Hopfield network. Then, we introduce the structures of BM and RBM. The conditional distributions of visible and hidden variables, Gibbs sampling in RBM for generating variables, training BM and RBM by maximum likelihood estimation, and contrastive divergence are explained. Then, we discuss different possible discrete and continuous distributions for the variables. We introduce conditional RBM and how it is trained. Finally, we explain deep belief network as a stack of RBM models. This paper on Boltzmann machines can be useful in various fields including data science, statistics, neural computation, and statistical physics.

A deep learning (DL) closure model for large-eddy simulation (LES) is developed and evaluated for incompressible flows around a rectangular cylinder at moderate Reynolds numbers. Near-wall flow simulation remains a central challenge in aerodynamic modeling: RANS predictions of separated flows are often inaccurate, while LES can require prohibitively small near-wall mesh sizes. The DL-LES model is trained using adjoint PDE optimization methods to match, as closely as possible, direct numerical simulation (DNS) data. It is then evaluated out-of-sample (i.e., for new aspect ratios and Reynolds numbers not included in the training data) and compared against a standard LES model (the dynamic Smagorinsky model). The DL-LES model outperforms dynamic Smagorinsky and is able to achieve accurate LES predictions on a relatively coarse mesh (downsampled from the DNS grid by a factor of four in each Cartesian direction). We study the accuracy of the DL-LES model for predicting the drag coefficient, mean flow, and Reynolds stress. A crucial challenge is that the LES quantities of interest are the steady-state flow statistics; for example, the time-averaged mean velocity $\bar{u}(x) = \displaystyle \lim_{t \rightarrow \infty} \frac{1}{t} \int_0^t u(s,x) dx$. Calculating the steady-state flow statistics therefore requires simulating the DL-LES equations over a large number of flow times through the domain; it is a non-trivial question whether an unsteady partial differential equation model whose functional form is defined by a deep neural network can remain stable and accurate on $t \in [0, \infty)$. Our results demonstrate that the DL-LES model is accurate and stable over large physical time spans, enabling the estimation of the steady-state statistics for the velocity, fluctuations, and drag coefficient of turbulent flows around bluff bodies relevant to aerodynamic applications.

In the complex multi-state system (MSS), reliability analysis is a significant research content, both for equipment design, manufacturing, usage and maintenance. Universal Generating Function (UGF) is an important method in the reliability analysis, which efficiently obtains the system reliability by a fast algebraic procedure. However, when structural relationships between subsystems or components are not clear or without explicit expressions, the UGF method is difficult to use or not applicable at all. Bayesian Network (BN) has a natural advantage in terms of uncertainty inference for the relationship without explicit expressions. For the number of components is extremely large, though, it has the defects of low efficiency. To overcome the respective defects of UGF and BN, a novel reliability analysis method called UGF-BN is proposed for the complex MSS. In the UGF-BN framework, the UGF method is firstly used to analyze the bottom components with a large number. Then probability distributions obtained are taken as the input of BN. Finally, the reliability of the complex MSS is modeled by the BN method. This proposed method improves the computational efficiency, especially for the MSS with the large number of bottom components. Besides, the aircraft reliability-based design optimization based on the UGF-BN method is further studied with budget constraints on mass, power, and cost. Finally, two cases are used to demonstrate and verify the proposed method.

Graph Neural Networks (GNNs) are widely used to perform different machine learning tasks on graphs. As the size of the graphs grows, and the GNNs get deeper, training and inference time become costly in addition to the memory requirement. Thus, without sacrificing accuracy, graph sparsification, or model compression becomes a viable approach for graph learning tasks. A few existing techniques only study the sparsification of graphs and GNN models. In this paper, we develop a SparseGCN pipeline to study all possible sparsification in GNN. We provide a theoretical analysis and empirically show that it can add up to 11.6\% additional sparsity to the embedding matrix without sacrificing the accuracy of the commonly used benchmark graph datasets.

In this paper, at first, the impact of ImageNet pre-training on fine-grained Facial Emotion Recognition (FER) is investigated which shows that when enough augmentations on images are applied, training from scratch provides better result than fine-tuning on ImageNet pre-training. Next, we propose a method to improve fine-grained and in-the-wild FER, called Hybrid Multi-Task Learning (HMTL). HMTL uses Self-Supervised Learning (SSL) as an auxiliary task during classical Supervised Learning (SL) in the form of Multi-Task Learning (MTL). Leveraging SSL during training can gain additional information from images for the primary fine-grained SL task. We investigate how proposed HMTL can be used in the FER domain by designing two customized version of common pre-text task techniques, puzzling and in-painting. We achieve state-of-the-art results on the AffectNet benchmark via two types of HMTL, without utilizing pre-training on additional data. Experimental results on the common SSL pre-training and proposed HMTL demonstrate the difference and superiority of our work. However, HMTL is not only limited to FER domain. Experiments on two types of fine-grained facial tasks, i.e., head pose estimation and gender recognition, reveals the potential of using HMTL to improve fine-grained facial representation.

Ensemble-based large-scale simulation of dynamical systems is essential to a wide range of science and engineering problems. Conventional numerical solvers used in the simulation are significantly limited by the step size for time integration, which hampers efficiency and feasibility especially when high accuracy is desired. To overcome this limitation, we propose a data-driven corrector method that allows using large step sizes while compensating for the integration error for high accuracy. This corrector is represented in the form of a vector-valued function and is modeled by a neural network to regress the error in the phase space. Hence we name the corrector neural vector (NeurVec). We show that NeurVec can achieve the same accuracy as traditional solvers with much larger step sizes. We empirically demonstrate that NeurVec can accelerate a variety of numerical solvers significantly and overcome the stability restriction of these solvers. Our results on benchmark problems, ranging from high-dimensional problems to chaotic systems, suggest that NeurVec is capable of capturing the leading error term and maintaining the statistics of ensemble forecasts.

Deep neural network (DNN) models, including those used in safety-critical domains, need to be thoroughly tested to ensure that they can reliably perform well in different scenarios. In this article, we provide an overview of structural coverage metrics for testing DNN models, including neuron coverage (NC), k-multisection neuron coverage (kMNC), top-k neuron coverage (TKNC), neuron boundary coverage (NBC), strong neuron activation coverage (SNAC) and modified condition/decision coverage (MC/DC). We evaluate the metrics on realistic DNN models used for perception tasks (including LeNet-1, LeNet-4, LeNet-5, and ResNet20) as well as on networks used in autonomy (TaxiNet). We also provide a tool, DNNCov, which can measure the testing coverage for all these metrics. DNNCov outputs an informative coverage report to enable researchers and practitioners to assess the adequacy of DNN testing, compare different coverage measures, and to more conveniently inspect the model's internals during testing.

Trajectory prediction is one of the essential tasks for autonomous vehicles. Recent progress in machine learning gave birth to a series of advanced trajectory prediction algorithms. Lately, the effectiveness of using graph neural networks (GNNs) with vectorized representations for trajectory prediction has been demonstrated by many researchers. Nonetheless, these algorithms either pay little attention to models' generalizability across various scenarios or simply assume training and test data follow similar statistics. In fact, when test scenarios are unseen or Out-of-Distribution (OOD), the resulting train-test domain shift usually leads to significant degradation in prediction performance, which will impact downstream modules and eventually lead to severe accidents. Therefore, it is of great importance to thoroughly investigate the prediction models in terms of their generalizability, which can not only help identify their weaknesses but also provide insights on how to improve these models. This paper proposes a generalizability analysis framework using feature attribution methods to help interpret black-box models. For the case study, we provide an in-depth generalizability analysis of one of the state-of-the-art graph-based trajectory predictors that utilize vectorized representation. Results show significant performance degradation due to domain shift, and feature attribution provides insights to identify potential causes of these problems. Finally, we conclude the common prediction challenges and how weighting biases induced by the training process can deteriorate the accuracy.

With the advent of the IoT, AI, and ML/DL algorithms, the data-driven medical application has emerged as a promising tool for designing reliable and scalable diagnostic and prognostic models from medical data. This has attracted a great deal of attention from academia to industry in recent years. This has undoubtedly improved the quality of healthcare delivery. However, these AI-based medical applications still have poor adoption due to their difficulties in satisfying strict security, privacy, and quality of service standards (such as low latency). Moreover, medical data are usually fragmented and private, making it challenging to generate robust results across populations. Recent developments in federated learning (FL) have made it possible to train complex machine-learned models in a distributed manner. Thus, FL has become an active research domain, particularly processing the medical data at the edge of the network in a decentralized way to preserve privacy and security concerns. To this end, this survey paper highlights the current and future of FL technology in medical applications where data sharing is a significant burden. It also review and discuss the current research trends and their outcomes for designing reliable and scalable FL models. We outline the general FL's statistical problems, device challenges, security, privacy concerns, and its potential in the medical domain. Moreover, our study is also focused on medical applications where we highlight the burden of global cancer and the efficient use of FL for the development of computer-aided diagnosis tools for addressing them. We hope that this review serves as a checkpoint that sets forth the existing state-of-the-art works in a thorough manner and offers open problems and future research directions for this field.

Recent advances in complex network analysis opened a wide range of possibilities for applications in diverse fields. The power of the network analysis depends on the node features. The topology-based node features are realizations of local and global spatial relations and node connectivity structure. Hence, collecting correct information on the node characteristics and the connectivity structure of the neighboring nodes plays the most prominent role in node classification and link prediction in complex network analysis. The present work introduces a new feature abstraction method, namely the Transition Probabilities Matrix (TPM), based on embedding anonymous random walks on feature vectors. The node feature vectors consist of transition probabilities obtained from sets of walks in a predefined radius. The transition probabilities are directly related to the local connectivity structure, hence correctly embedded onto feature vectors. The success of the proposed embedding method is tested on node identification/classification and link prediction on three commonly used real-world networks. In real-world networks, nodes with similar connectivity structures are common; Thus, obtaining information from similar networks for predictions on the new networks is the distinguishing characteristic that makes the proposed algorithm superior to the state-of-the-art algorithms in terms of cross-networks generalization tasks.

Integrating functions on discrete domains into neural networks is key to developing their capability to reason about discrete objects. But, discrete domains are (1) not naturally amenable to gradient-based optimization, and (2) incompatible with deep learning architectures that rely on representations in high-dimensional vector spaces. In this work, we address both difficulties for set functions, which capture many important discrete problems. First, we develop a framework for extending set functions onto low-dimensional continuous domains, where many extensions are naturally defined. Our framework subsumes many well-known extensions as special cases. Second, to avoid undesirable low-dimensional neural network bottlenecks, we convert low-dimensional extensions into representations in high-dimensional spaces, taking inspiration from the success of semidefinite programs for combinatorial optimization. Empirically, we observe benefits of our extensions for unsupervised neural combinatorial optimization, in particular with high-dimensional representations.

We study the problem of actively learning a non-parametric choice model based on consumers' decisions. We present a negative result showing that such choice models may not be identifiable. To overcome the identifiability problem, we introduce a directed acyclic graph (DAG) representation of the choice model, which in a sense captures as much information about the choice model as could information-theoretically be identified. We then consider the problem of learning an approximation to this DAG representation in an active-learning setting. We design an efficient active-learning algorithm to estimate the DAG representation of the non-parametric choice model, which runs in polynomial time when the set of frequent rankings is drawn uniformly at random. Our algorithm learns the distribution over the most popular items of frequent preferences by actively and repeatedly offering assortments of items and observing the item chosen. We show that our algorithm can better recover a set of frequent preferences on both a synthetic and publicly available dataset on consumers' preferences, compared to the corresponding non-active learning estimation algorithms. This demonstrates the value of our algorithm and active-learning approaches more generally.

This work connects models for virus spread on networks with their equivalent neural network representations. Based on this connection, we propose a new neural network architecture, called Transmission Neural Networks (TransNNs) where activation functions are primarily associated with links and are allowed to have different activation levels. Furthermore, this connection leads to the discovery and the derivation of three new activation functions with tunable or trainable parameters. Moreover, we prove that TransNNs with a single hidden layer and a fixed non-zero bias term are universal function approximators. Finally, we present new fundamental derivations of continuous time epidemic network models based on TransNNs.

Reinforcement learning agents must generalize beyond their training experience. Prior work has focused mostly on identical training and evaluation environments. Starting from the recently introduced Crafter benchmark, a 2D open world survival game, we introduce a new set of environments suitable for evaluating some agent's ability to generalize on previously unseen (numbers of) objects and to adapt quickly (meta-learning). In Crafter, the agents are evaluated by the number of unlocked achievements (such as collecting resources) when trained for 1M steps. We show that current agents struggle to generalize, and introduce novel object-centric agents that improve over strong baselines. We also provide critical insights of general interest for future work on Crafter through several experiments. We show that careful hyper-parameter tuning improves the PPO baseline agent by a large margin and that even feedforward agents can unlock almost all achievements by relying on the inventory display. We achieve new state-of-the-art performance on the original Crafter environment. Additionally, when trained beyond 1M steps, our tuned agents can unlock almost all achievements. We show that the recurrent PPO agents improve over feedforward ones, even with the inventory information removed. We introduce CrafterOOD, a set of 15 new environments that evaluate OOD generalization. On CrafterOOD, we show that the current agents fail to generalize, whereas our novel object-centric agents achieve state-of-the-art OOD generalization while also being interpretable. Our code is public.

Anatomic tracing data provides detailed information on brain circuitry essential for addressing some of the common errors in diffusion MRI tractography. However, automated detection of fiber bundles on tracing data is challenging due to sectioning distortions, presence of noise and artifacts and intensity/contrast variations. In this work, we propose a deep learning method with a self-supervised loss function that takes anatomy-based constraints into account for accurate segmentation of fiber bundles on the tracer sections from macaque brains. Also, given the limited availability of manual labels, we use a semi-supervised training technique for efficiently using unlabeled data to improve the performance, and location constraints for further reduction of false positives. Evaluation of our method on unseen sections from a different macaque yields promising results with a true positive rate of ~0.90. The code for our method is available at https://github.com/v-sundaresan/fiberbundle_seg_tracing.

This study sought to (1) expand our existing Urban Population Health Observatory (UPHO) system by incorporating a semantics layer; (2) cohesively employ machine learning and semantic/logical inference to provide measurable evidence and detect pathways leading to undesirable health outcomes; (3) provide clinical use case scenarios and design case studies to identify socioenvironmental determinants of health associated with the prevalence of obesity, and (4) design a dashboard that demonstrates the use of UPHO in the context of obesity surveillance using the provided scenarios. The system design includes a knowledge graph generation component that provides contextual knowledge from relevant domains of interest. This system leverages semantics using concepts, properties, and axioms from existing ontologies. In addition, we used the publicly available US Centers for Disease Control and Prevention 500 Cities data set to perform multivariate analysis. A cohesive approach that employs machine learning and semantic/logical inference reveals pathways leading to diseases. In this study, we present 2 clinical case scenarios and a proof-of-concept prototype design of a dashboard that provides warnings, recommendations, and explanations and demonstrates the use of UPHO in the context of obesity surveillance, treatment, and prevention. While exploring the case scenarios using a support vector regression machine learning model, we found that poverty, lack of physical activity, education, and unemployment were the most important predictive variables that contribute to obesity in Memphis, TN. The application of UPHO could help reduce health disparities and improve urban population health. The expanded UPHO feature incorporates an additional level of interpretable knowledge to enhance physicians, researchers, and health officials' informed decision-making at both patient and community levels.

In the first part of this work [32], we introduce a convex parabolic relaxation for quadratically-constrained quadratic programs, along with a sequential penalized parabolic relaxation algorithm to recover near-optimal feasible solutions. In this second part, we show that starting from a feasible solution or a near-feasible solution satisfying certain regularity conditions, the sequential penalized parabolic relaxation algorithm convergences to a point which satisfies Karush-Kuhn-Tucker optimality conditions. Next, we present numerical experiments on benchmark non-convex QCQP problems as well as large-scale instances of system identification problem demonstrating the efficiency of the proposed approach.

Transfer learning, multi-task learning, and meta-learning are well-studied topics concerned with the generalization of knowledge across learning tasks and are closely related to general intelligence. But, the formal, general systems differences between them are underexplored in the literature. This lack of systems-level formalism leads to difficulties in coordinating related, inter-disciplinary engineering efforts. This manuscript formalizes transfer learning, multi-task learning, and meta-learning as abstract learning systems, consistent with the formal-minimalist abstract systems theory of Mesarovic and Takahara. Moreover, it uses the presented formalism to relate the three concepts of learning in terms of composition, hierarchy, and structural homomorphism. Findings are readily depicted in terms of input-output systems, highlighting the ease of delineating formal, general systems differences between transfer, multi-task, and meta-learning.

A major drawback of adversarially robust models, in particular for large scale datasets like ImageNet, is the extremely long training time compared to standard ones. Moreover, models should be robust not only to one $l_p$-threat model but ideally to all of them. In this paper we propose Extreme norm Adversarial Training (E-AT) for multiple-norm robustness which is based on geometric properties of $l_p$-balls. E-AT costs up to three times less than other adversarial training methods for multiple-norm robustness. Using E-AT we show that for ImageNet a single epoch and for CIFAR-10 three epochs are sufficient to turn any $l_p$-robust model into a multiple-norm robust model. In this way we get the first multiple-norm robust model for ImageNet and boost the state-of-the-art for multiple-norm robustness to more than $51\%$ on CIFAR-10. Finally, we study the general transfer via fine-tuning of adversarial robustness between different individual $l_p$-threat models and improve the previous SOTA $l_1$-robustness on both CIFAR-10 and ImageNet. Extensive experiments show that our scheme works across datasets and architectures including vision transformers.

Domain generation algorithm (DGA) is used by botnets to build a stealthy command and control (C&C) communication channel between the C&C server and the bots. A DGA can periodically produce a large number of pseudo-random algorithmically generated domains (AGDs). AGD detection algorithms provide a lightweight, promising solution in response to the existing DGA techniques. In this paper, a GCNN (gated convolutional neural network)-LSTM (long short-term memory) Hybrid Neural Network (GLHNN) for AGD detection is proposed. In GLHNN, GCNN is applied to extract the informative features from domain names on top of LSTM which further processes the feature sequence. GLHNN is experimentally validated using representative AGDs covering six classes of DGAs. GLHNN is compared with the state-of-the-art detection models and demonstrates the best overall detection performance among these tested models.

Distributed acoustic sensors (DAS) are effective apparatus which are widely used in many application areas for recording signals of various events with very high spatial resolution along the optical fiber. To detect and recognize the recorded events properly, advanced signal processing algorithms with high computational demands are crucial. Convolutional neural networks are highly capable tools for extracting spatial information and very suitable for event recognition applications in DAS. Long-short term memory (LSTM) is an effective instrument for processing sequential data. In this study, we proposed a multi-input multi-output, two stage feature extraction methodology that combines the capabilities of these neural network architectures with transfer learning to classify vibrations applied to an optical fiber by a piezo transducer. First, we extracted the differential amplitude and phase information from the Phase-OTDR recordings and stored them in a temporal-spatial data matrix. Then, we used a state-of-the-art pre-trained CNN without dense layers as a feature extractor in the first stage. In the second stage, we used LSTMs to further analyze the features extracted by the CNN. Finally, we used a dense layer to classify the extracted features. To observe the effect of the utilized CNN architecture, we tested our model with five state-of-the art pre-trained models (VGG-16, ResNet-50, DenseNet-121, MobileNet and Inception-v3). The results show that using the VGG-16 architecture in our framework manages to obtain 100% classification accuracy in 50 trainings and got the best results on our Phase-OTDR dataset. Outcomes of this study indicate that the pre-trained CNNs combined with LSTM are very suitable for the analysis of differential amplitude and phase information, represented in a temporal spatial data matrix which is promising for event recognition operations in DAS applications.  ( 3 min )

Diarization partitions an audio stream into segments based on the voices of the speakers. Real-time diarization systems that include an enrollment step should limit enrollment training samples to reduce user interaction time. Although training on a small number of samples yields poor performance, we show that the accuracy can be improved dramatically using a chronological self-training approach. We studied the tradeoff between training time and classification performance and found that 1 second is sufficient to reach over 95% accuracy. We evaluated on 700 audio conversation files of about 10 minutes each from 6 different languages and demonstrated average diarization error rates as low as 10%.

Variational autoencoders (VAEs) are susceptible to adversarial attacks. An adversary can find a small perturbation in the input sample to change its latent encoding non-smoothly, thereby compromising the reconstruction. A known reason for such vulnerability is the latent space distortions arising from a mismatch between approximated latent posterior and a prior distribution. Consequently, a slight change in the inputs leads to a significant change in the latent space encodings. This paper demonstrates that the sensitivity around a data point is due to a directional bias of a stochastic pullback metric tensor induced by the encoder network. The pullback metric tensor measures the infinitesimal volume change from input to latent space. Thus, it can be viewed as a lens to analyse the effect of small changes in the input leading to distortions in the latent space. We propose robustness evaluation scores using the eigenspectrum of a pullback metric. Moreover, we empirically show that the scores correlate with the robustness parameter $\beta$ of the $\beta-$VAE.

Recent advancements in the area of deep learning have shown the effectiveness of very large neural networks in several applications. However, as these deep neural networks continue to grow in size, it becomes more and more difficult to configure their many parameters to obtain good results. Presently, analysts must experiment with many different configurations and parameter settings, which is labor-intensive and time-consuming. On the other hand, the capacity of fully automated techniques for neural network architecture search is limited without the domain knowledge of human experts. To deal with the problem, we formulate the task of neural network architecture optimization as a graph space exploration, based on the one-shot architecture search technique. In this approach, a super-graph of all candidate architectures is trained in one-shot and the optimal neural network is identified as a sub-graph. In this paper, we present a framework that allows analysts to effectively build the solution sub-graph space and guide the network search by injecting their domain knowledge. Starting with the network architecture space composed of basic neural network components, analysts are empowered to effectively select the most promising components via our one-shot search scheme. Applying this technique in an iterative manner allows analysts to converge to the best performing neural network architecture for a given application. During the exploration, analysts can use their domain knowledge aided by cues provided from a scatterplot visualization of the search space to edit different components and guide the search for faster convergence. We designed our interface in collaboration with several deep learning researchers and its final effectiveness is evaluated with a user study and two case studies.

Labeling a classification dataset implies to define classes and associated coarse labels, that may approximate a smoother and more complicated ground truth. For example, natural images may contain multiple objects, only one of which is labeled in many vision datasets, or classes may result from the discretization of a regression problem. Using cross-entropy to train classification models on such coarse labels is likely to roughly cut through the feature space, potentially disregarding the most meaningful such features, in particular losing information on the underlying fine-grain task. In this paper we are interested in the problem of solving fine-grain classification or regression, using a model trained on coarse-grain labels only. We show that standard cross-entropy can lead to overfitting to coarse-related features. We introduce an entropy-based regularization to promote more diversity in the feature space of trained models, and empirically demonstrate the efficacy of this methodology to reach better performance on the fine-grain problems. Our results are supported through theoretical developments and empirical validation.

Precision medicine provides customized treatments to patients based on their characteristics and is a promising approach to improving treatment efficiency. Large scale omics data are useful for patient characterization, but often their measurements change over time, leading to longitudinal data. Random forest is one of the state-of-the-art machine learning methods for building prediction models, and can play a crucial role in precision medicine. In this paper, we review extensions of the standard random forest method for the purpose of longitudinal data analysis. Extension methods are categorized according to the data structures for which they are designed. We consider both univariate and multivariate responses and further categorize the repeated measurements according to whether the time effect is relevant. Information of available software implementations of the reviewed extensions is also given. We conclude with discussions on the limitations of our review and some future research directions.

Out-of-distribution (O.O.D.) generalization remains to be a key challenge for real-world machine learning systems. We describe a method for O.O.D. generalization that, through training, encourages models to only preserve features in the network that are well reused across multiple training domains. Our method combines two complementary neuron-level regularizers with a probabilistic differentiable binary mask over the network, to extract a modular sub-network that achieves better O.O.D. performance than the original network. Preliminary evaluation on two benchmark datasets corroborates the promise of our method.

Graph reductions are fundamental when dealing with large scale networks and relational data. They allow to downsize tasks of high computational impact by solving them in coarsened structures. At the same time, graph reductions play the role of pooling layers in graph neural networks, to extract multi-resolution representations from structures. In these contexts, the ability of the reduction mechanism to preserve distance relationships and topological properties appears fundamental, along with a scalability enabling its application to real-world sized problems. In this paper, we introduce a graph coarsening mechanism based on the graph-theoretic concept of maximum-weight $k$-independent sets, providing a greedy algorithm that allows efficient parallel implementation on GPUs. Our method is the first graph-structured counterpart of controllable equispaced coarsening mechanisms in regular data (images, sequences). We prove theoretical guarantees for distortion bounds on path lengths, as well as the ability to preserve key topological properties in the coarsened graphs. We leverage these concepts to define a graph pooling mechanism that we empirically assess in graph classification tasks, showing that it compares favorably against pooling methods in literature.

Parameterized systems of polynomial equations arise in many applications in science and engineering with the real solutions describing, for example, equilibria of a dynamical system, linkages satisfying design constraints, and scene reconstruction in computer vision. Since different parameter values can have a different number of real solutions, the parameter space is decomposed into regions whose boundary forms the real discriminant locus. This article views locating the real discriminant locus as a supervised classification problem in machine learning where the goal is to determine classification boundaries over the parameter space, with the classes being the number of real solutions. For multidimensional parameter spaces, this article presents a novel sampling method which carefully samples the parameter space. At each sample point, homotopy continuation is used to obtain the number of real solutions to the corresponding polynomial system. Machine learning techniques including nearest neighbor and deep learning are used to efficiently approximate the real discriminant locus. One application of having learned the real discriminant locus is to develop a real homotopy method that only tracks the real solution paths unlike traditional methods which track all~complex~solution~paths. Examples show that the proposed approach can efficiently approximate complicated solution boundaries such as those arising from the equilibria of the Kuramoto model.

This paper proposes a weakly-supervised machine learning-based approach aiming at a tool to alert patients about possible respiratory diseases. Various types of pathologies may affect the respiratory system, potentially leading to severe diseases and, in certain cases, death. In general, effective prevention practices are considered as major actors towards the improvement of the patient's health condition. The proposed method strives to realize an easily accessible tool for the automatic diagnosis of respiratory diseases. Specifically, the method leverages Variational Autoencoder architectures permitting the usage of training pipelines of limited complexity and relatively small-sized datasets. Importantly, it offers an accuracy of 57 %, which is in line with the existing strongly-supervised approaches.  ( 2 min )

The classical shadows protocol, recently introduced by Huang, Kueng, and Preskill [Nat. Phys. 16, 1050 (2020)], is a quantum-classical protocol to estimate properties of an unknown quantum state. Unlike full quantum state tomography, the protocol can be implemented on near-term quantum hardware and requires few quantum measurements to make many predictions with a high success probability. In this paper, we study the effects of noise on the classical shadows protocol. In particular, we consider the scenario in which the quantum circuits involved in the protocol are subject to various known noise channels and derive an analytical upper bound for the sample complexity in terms of a shadow seminorm for both local and global noise. Additionally, by modifying the classical post-processing step of the noiseless protocol, we define a new estimator that remains unbiased in the presence of noise. As applications, we show that our results can be used to prove rigorous sample complexity upper bounds in the cases of depolarizing noise and amplitude damping.  ( 2 min )

In grant-free sparse code multiple access (GF-SCMA) system, active user detection (AUD) is a major performance bottleneck as it involves complex combinatorial problem, which makes joint design of contention resources for users and AUD at the receiver a crucial but a challenging problem. To this end, we propose autoencoder (AE)-based joint optimization of both preamble generation networks (PGNs) in the encoder side and data-aided AUD in the decoder side. The core architecture of the proposed AE is a novel user activity extraction network (UAEN) in the decoder that extracts a priori user activity information from the SCMA codeword data for the data-aided AUD. An end-to-end training of the proposed AE enables joint optimization of the contention resources, i.e., preamble sequences, each associated with one of the codebooks, and extraction of user activity information from both preamble and SCMA-based data transmission. Furthermore, we propose a self-supervised pre-training scheme for the UAEN prior to the end-to-end training, to ensure the convergence of the UAEN which lies deep inside the AE network. Simulation results demonstrated that the proposed AUD scheme achieved 3 to 5dB gain at a target activity detection error rate of $\bf{{10}^{-3}}$ compared to the state-of-the-art DL-based AUD schemes.  ( 3 min )

Kernel density estimation (KDE) stands out as a challenging task in machine learning. The problem is defined in the following way: given a kernel function $f(x,y)$ and a set of points $\{x_1, x_2, \cdots, x_n \} \subset \mathbb{R}^d$, we would like to compute $\frac{1}{n}\sum_{i=1}^{n} f(x_i,y)$ for any query point $y \in \mathbb{R}^d$. Recently, there has been a growing trend of using data structures for efficient KDE. However, the proposed KDE data structures focus on static settings. The robustness of KDE data structures over dynamic changing data distributions is not addressed. In this work, we focus on the dynamic maintenance of KDE data structures with robustness to adversarial queries. Especially, we provide a theoretical framework of KDE data structures. In our framework, the KDE data structures only require subquadratic spaces. Moreover, our data structure supports the dynamic update of the dataset in sublinear time. Furthermore, we can perform adaptive queries with the potential adversary in sublinear time.

This paper narrows the gap between previous literature on quantum linear algebra and practical data analysis on a quantum computer, formalizing quantum procedures that speed-up the solution of eigenproblems for data representations in machine learning. The power and practical use of these subroutines is shown through new quantum algorithms, sublinear in the input matrix's size, for principal component analysis, correspondence analysis, and latent semantic analysis. We provide a theoretical analysis of the run-time and prove tight bounds on the randomized algorithms' error. We run experiments on multiple datasets, simulating PCA's dimensionality reduction for image classification with the novel routines. The results show that the run-time parameters that do not depend on the input's size are reasonable and that the error on the computed model is small, allowing for competitive classification performances.  ( 2 min )

Neural network-based embeddings have been the mainstream approach for creating a vector representation of the text to capture lexical and semantic similarities and dissimilarities. In general, existing encoding methods dismiss the punctuation as insignificant information; consequently, they are routinely treated as a predefined token/word or eliminated in the pre-processing phase. However, punctuation could play a significant role in the semantics of the sentences, as in "Let's eat\hl{,} grandma" and "Let's eat grandma". We hypothesize that a punctuation-aware representation model would affect the performance of the downstream tasks. Thereby, we propose a model-agnostic method that incorporates both syntactic and contextual information to improve the performance of the sentiment classification task. We corroborate our findings by conducting experiments on publicly available datasets and provide case studies that our model generates representations with respect to the punctuation in the sentence.

Modern vehicles, including autonomous vehicles and connected vehicles, have adopted an increasing variety of functionalities through connections and communications with other vehicles, smart devices, and infrastructures. However, the growing connectivity of the Internet of Vehicles (IoV) also increases the vulnerabilities to network attacks. To protect IoV systems against cyber threats, Intrusion Detection Systems (IDSs) that can identify malicious cyber-attacks have been developed using Machine Learning (ML) approaches. To accurately detect various types of attacks in IoV networks, we propose a novel ensemble IDS framework named Leader Class and Confidence Decision Ensemble (LCCDE). It is constructed by determining the best-performing ML model among three advanced ML algorithms (XGBoost, LightGBM, and CatBoost) for every class or type of attack. The class leader models with their prediction confidence values are then utilized to make accurate decisions regarding the detection of various types of cyber-attacks. Experiments on two public IoV security datasets (Car-Hacking and CICIDS2017 datasets) demonstrate the effectiveness of the proposed LCCDE for intrusion detection on both intra-vehicle and external networks.

Applying artificial intelligence to scientific problems (namely AI for science) is currently under hot debate. However, the scientific problems differ much from the conventional ones with images, texts, and etc., where new challenges emerges with the unbalanced scientific data and complicated effects from the physical setups. In this work, we demonstrate the validity of the deep convolutional neural network (CNN) on reconstructing the lattice topology (i.e., spin connectivities) in the presence of strong thermal fluctuations and unbalanced data. Taking the kinetic Ising model with Glauber dynamics as an example, the CNN maps the time-dependent local magnetic momenta (a single-node feature) evolved from a specific initial configuration (dubbed as an evolution instance) to the probabilities of the presences of the possible couplings. Our scheme distinguishes from the previous ones that might require the knowledge on the node dynamics, the responses from perturbations, or the evaluations of statistic quantities such as correlations or transfer entropy from many evolution instances. The fine tuning avoids the "barren plateau" caused by the strong thermal fluctuations at high temperatures. Accurate reconstructions can be made where the thermal fluctuations dominate over the correlations and consequently the statistic methods in general fail. Meanwhile, we unveil the generalization of CNN on dealing with the instances evolved from the unlearnt initial spin configurations and those with the unlearnt lattices. We raise an open question on the learning with unbalanced data in the nearly "double-exponentially" large sample space.

Recent research in deep learning has shown that neural networks can learn differential equations governing dynamical systems. In this paper, we adapt this concept to Virtual Analog (VA) modeling to learn the ordinary differential equations (ODEs) governing the first-order and the second-order diode clipper. The proposed models achieve performance comparable to state-of-the-art recurrent neural networks (RNNs) albeit using fewer parameters. We show that this approach does not require oversampling and allows to increase the sampling rate after the training has completed, which results in increased accuracy. Using a sophisticated numerical solver allows to increase the accuracy at the cost of slower processing. ODEs learned this way do not require closed forms but are still physically interpretable.  ( 2 min )

One of the most pressing challenges prevalent in the steel manufacturing industry is the identification of surface defects. Early identification of casting defects can help boost performance, including streamlining production processes. Though, deep learning models have helped bridge this gap and automate most of these processes, there is a dire need to come up with lightweight models that can be deployed easily with faster inference times. This research proposes a lightweight architecture that is efficient in terms of accuracy and inference time compared with sophisticated pre-trained CNN architectures like MobileNet, Inception, and ResNet, including vision transformers. Methodologies to minimize computational requirements such as depth-wise separable convolution and global average pooling (GAP) layer, including techniques that improve architectural efficiencies and augmentations, have been experimented. Our results indicate that a custom model of 590K parameters with depth-wise separable convolutions outperformed pretrained architectures such as Resnet and Vision transformers in terms of accuracy (81.87%) and comfortably outdid architectures such as Resnet, Inception, and Vision transformers in terms of faster inference times (12 ms). Blurpool fared outperformed other techniques, with an accuracy of 83.98%. Augmentations had a paradoxical effect on the model performance. No direct correlation between depth-wise and 3x3 convolutions on inference time, they, however, they played a direct role in improving model efficiency by enabling the networks to go deeper and by decreasing the number of trainable parameters. Our work sheds light on the fact that custom networks with efficient architectures and faster inference times can be built without the need of relying on pre-trained architectures.  ( 3 min )

Recently, intent-based management is receiving good attention in telecom networks owing to stringent performance requirements for many of the use cases. Several approaches on the literature employ traditional methods in the telecom domain to fulfill intents on the KPIs, which can be defined as a closed loop. However, these methods consider every closed-loop independent of each other which degrades the combined closed-loop performance. Also, when many closed loops are needed, these methods are not easily scalable. Multi-agent reinforcement learning (MARL) techniques have shown significant promise in many areas in which traditional closed-loop control falls short, typically for complex coordination and conflict management among loops. In this work, we propose a method based on MARL to achieve intent-based management without the requirement of the model of the underlying system. Moreover, when there are conflicting intents, the MARL agents can implicitly incentivize the loops to cooperate, without human interaction, by prioritizing the important KPIs. Experiments have been performed on a network emulator on optimizing KPIs for three services and we observe the proposed system performs well and is able to fulfill all existing intents when there are enough resources or prioritize the KPIs when there are scarce resources.  ( 2 min )

Deep learning based latent representations have been widely used for numerous scientific visualization applications such as isosurface similarity analysis, volume rendering, flow field synthesis, and data reduction, just to name a few. However, existing latent representations are mostly generated from raw data in an unsupervised manner, which makes it difficult to incorporate domain interest to control the size of the latent representations and the quality of the reconstructed data. In this paper, we present a novel importance-driven latent representation to facilitate domain-interest-guided scientific data visualization and analysis. We utilize spatial importance maps to represent various scientific interests and take them as the input to a feature transformation network to guide latent generation. We further reduced the latent size by a lossless entropy encoding algorithm trained together with the autoencoder, improving the storage and memory efficiency. We qualitatively and quantitatively evaluate the effectiveness and efficiency of latent representations generated by our method with data from multiple scientific visualization applications.

Differential equations are used in a wide variety of disciplines, describing the complex behavior of the physical world. Analytic solutions to these equations are often difficult to solve for, limiting our current ability to solve complex differential equations and necessitating sophisticated numerical methods to approximate solutions. Trained neural networks act as universal function approximators, able to numerically solve differential equations in a novel way. In this work, methods and applications of neural network algorithms for numerically solving differential equations are explored, with an emphasis on varying loss functions and biological applications. Variations on traditional loss function and training parameters show promise in making neural network-aided solutions more efficient, allowing for the investigation of more complex equations governing biological principles.

Most of the existing works on pedestrian pose estimation do not consider estimating the pose of an occluded pedestrian, as the annotations of the occluded parts are not available in relevant automotive datasets. For example, CityPersons, a well-known dataset for pedestrian detection in automotive scenes does not provide pose annotations, whereas MS-COCO, a non-automotive dataset, contains human pose estimation. In this work, we propose a multi-task framework to extract pedestrian features through detection and instance segmentation tasks performed separately on these two distributions. Thereafter, an encoder learns pose specific features using an unsupervised instance-level domain adaptation method for the pedestrian instances from both distributions. The proposed framework has improved state-of-the-art performances of pose estimation, pedestrian detection, and instance segmentation.

Isoforms are mRNAs produced from the same gene site in the phenomenon called Alternative Splicing. Studies have shown that more than 95% of human multi-exon genes have undergone alternative splicing. Although there are few changes in mRNA sequence, They may have a systematic effect on cell function and regulation. It is widely reported that isoforms of a gene have distinct or even contrasting functions. Most studies have shown that alternative splicing plays a significant role in human health and disease. Despite the wide range of gene function studies, there is little information about isoforms' functionalities. Recently, some computational methods based on Multiple Instance Learning have been proposed to predict isoform function using gene function and gene expression profile. However, their performance is not desirable due to the lack of labeled training data. In addition, probabilistic models such as Conditional Random Field (CRF) have been used to model the relation between isoforms. This project uses all the data and valuable information such as isoform sequences, expression profiles, and gene ontology graphs and proposes a comprehensive model based on Deep Neural Networks. The UniProt Gene Ontology (GO) database is used as a standard reference for gene functions. The NCBI RefSeq database is used for extracting gene and isoform sequences, and the NCBI SRA database is used for expression profile data. Metrics such as Receiver Operating Characteristic Area Under the Curve (ROC AUC) and Precision-Recall Under the Curve (PR AUC) are used to measure the prediction accuracy.

Recent work in Deep Learning has re-imagined the representation of data as functions mapping from a coordinate space to an underlying continuous signal. When such functions are approximated by neural networks this introduces a compelling alternative to the more common multi-dimensional array representation. Recent work on such Implicit Neural Representations (INRs) has shown that - following careful architecture search - INRs can outperform established compression methods such as JPEG (e.g. Dupont et al., 2021). In this paper, we propose crucial steps towards making such ideas scalable: Firstly, we employ state-of-the-art network sparsification techniques to drastically improve compression. Secondly, introduce the first method allowing for sparsification to be employed in the inner-loop of commonly used Meta-Learning algorithms, drastically improving both compression and the computational cost of learning INRs. The generality of this formalism allows us to present results on diverse data modalities such as images, manifolds, signed distance functions, 3D shapes and scenes, several of which establish new state-of-the-art results.

Despite the recent success of artificial neural networks, more biologically plausible learning methods may be needed to resolve the weaknesses of backpropagation trained models such as catastrophic forgetting and adversarial attacks. Although these weaknesses are not specifically addressed, a novel local learning rule is presented that performs online clustering with an upper limit on the number of clusters to be found rather than a fixed cluster count. Instead of using orthogonal weight or output activation constraints, activation sparsity is achieved by mutual repulsion of lateral Gaussian neurons ensuring that multiple neuron centers cannot occupy the same location in the input domain. An update method is also presented for adjusting the widths of the Gaussian neurons in cases where the data samples can be represented by means and variances. The algorithms were applied on the MNIST and CIFAR-10 datasets to create filters capturing the input patterns of pixel patches of various sizes. The experimental results demonstrate stability in the learned parameters across a large number of training samples.

In this paper, we present a comprehensive, in-depth survey of the literature on reinforcement learning approaches to decision optimization problems in a typical ridesharing system. Papers on the topics of rideshare matching, vehicle repositioning, ride-pooling, routing, and dynamic pricing are covered. Most of the literature has appeared in the last few years, and several core challenges are to continue to be tackled: model complexity, agent coordination, and joint optimization of multiple levers. Hence, we also introduce popular data sets and open simulation environments to facilitate further research and development. Subsequently, we discuss a number of challenges and opportunities for reinforcement learning research on this important domain.

Transformers are considered one of the most important deep learning models since 2018, in part because it establishes state-of-the-art (SOTA) records and could potentially replace existing Deep Neural Networks (DNNs). Despite the remarkable triumphs, the prolonged turnaround time of Transformer models is a widely recognized roadblock. The variety of sequence lengths imposes additional computing overhead where inputs need to be zero-padded to the maximum sentence length in the batch to accommodate the parallel computing platforms. This paper targets the field-programmable gate array (FPGA) and proposes a coherent sequence length adaptive algorithm-hardware co-design for Transformer acceleration. Particularly, we develop a hardware-friendly sparse attention operator and a length-aware hardware resource scheduling algorithm. The proposed sparse attention operator brings the complexity of attention-based models down to linear complexity and alleviates the off-chip memory traffic. The proposed length-aware resource hardware scheduling algorithm dynamically allocates the hardware resources to fill up the pipeline slots and eliminates bubbles for NLP tasks. Experiments show that our design has very small accuracy loss and has 80.2 $\times$ and 2.6 $\times$ speedup compared to CPU and GPU implementation, and 4 $\times$ higher energy efficiency than state-of-the-art GPU accelerator optimized via CUBLAS GEMM.

Online bipartite matching is a fundamental problem in online algorithms. The goal is to match two sets of vertices to maximize the sum of the edge weights, where for one set of vertices, each vertex and its corresponding edge weights appear in a sequence. Currently, in the practical recommendation system or search engine, the weights are decided by the inner product between the deep representation of a user and the deep representation of an item. The standard online matching needs to pay $nd$ time to linear scan all the $n$ items, computing weight (assuming each representation vector has length $d$), and then decide the matching based on the weights. However, in reality, the $n$ could be very large, e.g. in online e-commerce platforms. Thus, improving the time of computing weights is a problem of practical significance. In this work, we provide the theoretical foundation for computing the weights approximately. We show that, with our proposed randomized data structures, the weights can be computed in sublinear time while still preserving the competitive ratio of the matching algorithm.

We address the problem of retrieving images with both a sketch and a text query. We present TASK-former (Text And SKetch transformer), an end-to-end trainable model for image retrieval using a text description and a sketch as input. We argue that both input modalities complement each other in a manner that cannot be achieved easily by either one alone. TASK-former follows the late-fusion dual-encoder approach, similar to CLIP, which allows efficient and scalable retrieval since the retrieval set can be indexed independently of the queries. We empirically demonstrate that using an input sketch (even a poorly drawn one) in addition to text considerably increases retrieval recall compared to traditional text-based image retrieval. To evaluate our approach, we collect 5,000 hand-drawn sketches for images in the test set of the COCO dataset. The collected sketches are available a https://janesjanes.github.io/tsbir/.

Convolutional neural networks (CNNs) have made resounding success in many computer vision tasks such as image classification and object detection. However, their performance degrades rapidly on tougher tasks where images are of low resolution or objects are small. In this paper, we point out that this roots in a defective yet common design in existing CNN architectures, namely the use of strided convolution and/or pooling layers, which results in a loss of fine-grained information and learning of less effective feature representations. To this end, we propose a new CNN building block called SPD-Conv in place of each strided convolution layer and each pooling layer (thus eliminates them altogether). SPD-Conv is comprised of a space-to-depth (SPD) layer followed by a non-strided convolution (Conv) layer, and can be applied in most if not all CNN architectures. We explain this new design under two most representative computer vision tasks: object detection and image classification. We then create new CNN architectures by applying SPD-Conv to YOLOv5 and ResNet, and empirically show that our approach significantly outperforms state-of-the-art deep learning models, especially on tougher tasks with low-resolution images and small objects. We have open-sourced our code at https://github.com/LabSAINT/SPD-Conv.

Estimating the importance of variables is an essential task in modern machine learning. This help to evaluate the goodness of a feature in a given model. Several techniques for estimating the importance of variables have been developed during the last decade. In this paper, we proposed a computational and theoretical exploration of the emerging methods of variable importance estimation, namely: Least Absolute Shrinkage and Selection Operator (LASSO), Support Vector Machine (SVM), the Predictive Error Function (PERF), Random Forest (RF), and Extreme Gradient Boosting (XGBOOST) that were tested on different kinds of real-life and simulated data. All these methods can handle both regression and classification tasks seamlessly but all fail when it comes to dealing with data containing missing values. The implementation has shown that PERF has the best performance in the case of highly correlated data closely followed by RF. PERF and XGBOOST are "data-hungry" methods, they had the worst performance on small data sizes but they are the fastest when it comes to the execution time. SVM is the most appropriate when many redundant features are in the dataset. A surplus with the PERF is its natural cut-off at zero helping to separate positive and negative scores with all positive scores indicating essential and significant features while the negatives score indicates useless features. RF and LASSO are very versatile in a way that they can be used in almost all situations despite they are not giving the best results.

The over-parametrized nature of Deep Neural Networks leads to considerable hindrances during deployment on low-end devices with time and space constraints. Network pruning strategies that sparsify DNNs using iterative prune-train schemes are often computationally expensive. As a result, techniques that prune at initialization, prior to training, have become increasingly popular. In this work, we propose neuron-to-neuron skip connections, which act as sparse weighted skip connections, to enhance the overall connectivity of pruned DNNs. Following a preliminary pruning step, N2NSkip connections are randomly added between individual neurons/channels of the pruned network, while maintaining the overall sparsity of the network. We demonstrate that introducing N2NSkip connections in pruned networks enables significantly superior performance, especially at high sparsity levels, as compared to pruned networks without N2NSkip connections. Additionally, we present a heat diffusion-based connectivity analysis to quantitatively determine the connectivity of the pruned network with respect to the reference network. We evaluate the efficacy of our approach on two different preliminary pruning methods which prune at initialization, and consistently obtain superior performance by exploiting the enhanced connectivity resulting from N2NSkip connections.

In recent years, the exponential increase in the demand of wireless data transmission rises the urgency for accurate spectrum sensing approaches to improve spectrum efficiency. The unreliability of conventional spectrum sensing methods by using measurements from a single secondary user (SU) has motivated research on cooperative spectrum sensing (CSS). In this work, we propose a vertical federated learning (VFL) framework to exploit the distributed features across multiple SUs without compromising data privacy. However, the repetitive training process in VFL faces the issue of high communication latency. To accelerate the training process, we propose a truncated vertical federated learning (T-VFL) algorithm, where the training latency is highly reduced by integrating the standard VFL algorithm with a channel-aware user scheduling policy. The convergence performance of T-VFL is provided via mathematical analysis and justified by simulation results. Moreover, to guarantee the convergence performance of the T-VFL algorithm, we conclude three design rules on the neural architectures used under the VFL framework, whose effectiveness is proved through simulations.

We propose a new spectrum allocation strategy, aided by unsupervised learning, for multiuser terahertz communication systems. In this strategy, adaptive sub-band bandwidth is considered such that the spectrum of interest can be divided into sub-bands with unequal bandwidths. This strategy reduces the variation in molecular absorption loss among the users, leading to the improved data rate performance. We first formulate an optimization problem to determine the optimal sub-band bandwidth and transmit power, and then propose the unsupervised learning-based approach to obtaining the near-optimal solution to this problem. In the proposed approach, we first train a deep neural network (DNN) while utilizing a loss function that is inspired by the Lagrangian of the formulated problem. Then using the trained DNN, we approximate the near-optimal solutions. Numerical results demonstrate that comparing to existing approaches, our proposed unsupervised learning-based approach achieves a higher data rate, especially when the molecular absorption coefficient within the spectrum of interest varies in a highly non-linear manner.

CycleGAN can be used to transfer an artistic style to an image. It does not require pairs of source and stylized images to train a model. Taking this advantage, we propose using randomly generated data to train a machine learning model that can transfer traditional art style to a black and white silhouette image. The result is noticeably better than the previous neural style transfer methods. However, there are some areas for improvement, such as removing artifacts and spikes from the transformed image.

This paper considers the impact of general hardware impairments in a multiple-antenna base station and user equipments on the uplink performance. First, the effective channels are analytically derived for distortion-aware receivers when using finite-sized signal constellations. Next, a deep feedforward neural network is designed and trained to estimate the effective channels. Its performance is compared with state-of-the-art distortion-aware and unaware Bayesian linear minimum mean-squared error (LMMSE) estimators. The proposed deep learning approach improves the estimation quality by exploiting impairment characteristics, while LMMSE methods treat distortion as noise.

Precision medicine provides customized treatments to patients based on their characteristics and is a promising approach to improving treatment efficiency. Large scale omics data are useful for patient characterization, but often their measurements change over time, leading to longitudinal data. Random forest is one of the state-of-the-art machine learning methods for building prediction models, and can play a crucial role in precision medicine. In this paper, we review extensions of the standard random forest method for the purpose of longitudinal data analysis. Extension methods are categorized according to the data structures for which they are designed. We consider both univariate and multivariate responses and further categorize the repeated measurements according to whether the time effect is relevant. Information of available software implementations of the reviewed extensions is also given. We conclude with discussions on the limitations of our review and some future research directions.  ( 2 min )

Stochastic kriging has been widely employed for simulation metamodeling to predict the response surface of complex simulation models. However, its use is limited to cases where the design space is low-dimensional because, in general, the sample complexity (i.e., the number of design points required for stochastic kriging to produce an accurate prediction) grows exponentially in the dimensionality of the design space. The large sample size results in both a prohibitive sample cost for running the simulation model and a severe computational challenge due to the need to invert large covariance matrices. Based on tensor Markov kernels and sparse grid experimental designs, we develop a novel methodology that dramatically alleviates the curse of dimensionality. We show that the sample complexity of the proposed methodology grows only slightly in the dimensionality, even under model misspecification. We also develop fast algorithms that compute stochastic kriging in its exact form without any approximation schemes. We demonstrate via extensive numerical experiments that our methodology can handle problems with a design space of more than 10,000 dimensions, improving both prediction accuracy and computational efficiency by orders of magnitude relative to typical alternative methods in practice.  ( 3 min )

Divide-and-conquer strategies for Monte Carlo algorithms are an increasingly popular approach to making Bayesian inference scalable to large data sets. In its simplest form, the data are partitioned across multiple computing cores and a separate Markov chain Monte Carlo algorithm on each core targets the associated partial posterior distribution, which we refer to as a sub-posterior, that is the posterior given only the data from the segment of the partition associated with that core. Divide-and-conquer techniques reduce computational, memory and disk bottle-necks, but make it difficult to recombine the sub-posterior samples. We propose SwISS: Sub-posteriors with Inflation, Scaling and Shifting; a new approach for recombining the sub-posterior samples which is simple to apply, scales to high-dimensional parameter spaces and accurately approximates the original posterior distribution through affine transformations of the sub-posterior samples. We prove that our transformation is asymptotically optimal across a natural set of affine transformations and illustrate the efficacy of SwISS against competing algorithms on synthetic and real-world data sets.

A novel neural network (NN) approach is proposed for constrained optimization. The proposed method uses a specially designed NN architecture and training/optimization procedure called Neural Optimization Machine (NOM). The objective functions for the NOM are approximated with NN models. The optimization process is conducted by the neural network's built-in backpropagation algorithm. The NOM solves optimization problems by extending the architecture of the NN objective function model. This is achieved by appropriately designing the NOM's structure, activation function, and loss function. The NN objective function can have arbitrary architectures and activation functions. The application of the NOM is not limited to specific optimization problems, e.g., linear and quadratic programming. It is shown that the increase of dimension of design variables does not increase the computational cost significantly. Then, the NOM is extended for multiobjective optimization. Finally, the NOM is tested using numerical optimization problems and applied for the optimal design of processing parameters in additive manufacturing.

Model-agnostic meta learning (MAML) is currently one of the dominating approaches for few-shot meta-learning. Albeit its effectiveness, the optimization of MAML can be challenging due to the innate bilevel problem structure. Specifically, the loss landscape of MAML is much more complex with possibly more saddle points and local minimizers than its empirical risk minimization counterpart. To address this challenge, we leverage the recently invented sharpness-aware minimization and develop a sharpness-aware MAML approach that we term Sharp-MAML. We empirically demonstrate that Sharp-MAML and its computation-efficient variant can outperform the plain-vanilla MAML baseline (e.g., $+3\%$ accuracy on Mini-Imagenet). We complement the empirical study with the convergence rate analysis and the generalization bound of Sharp-MAML. To the best of our knowledge, this is the first empirical and theoretical study on sharpness-aware minimization in the context of bilevel learning. The code is available at https://github.com/mominabbass/Sharp-MAML.

Kernel density estimation (KDE) stands out as a challenging task in machine learning. The problem is defined in the following way: given a kernel function $f(x,y)$ and a set of points $\{x_1, x_2, \cdots, x_n \} \subset \mathbb{R}^d$, we would like to compute $\frac{1}{n}\sum_{i=1}^{n} f(x_i,y)$ for any query point $y \in \mathbb{R}^d$. Recently, there has been a growing trend of using data structures for efficient KDE. However, the proposed KDE data structures focus on static settings. The robustness of KDE data structures over dynamic changing data distributions is not addressed. In this work, we focus on the dynamic maintenance of KDE data structures with robustness to adversarial queries. Especially, we provide a theoretical framework of KDE data structures. In our framework, the KDE data structures only require subquadratic spaces. Moreover, our data structure supports the dynamic update of the dataset in sublinear time. Furthermore, we can perform adaptive queries with the potential adversary in sublinear time.

Cancer is one of the leading causes of death worldwide. Fast and safe early-stage, pre- and intra-operative diagnostics can significantly contribute to successful cancer identification and treatment. Artificial intelligence has played an increasing role in the enhancement of cancer diagnostics techniques in the last 15 years. This review covers the advances of artificial intelligence applications in well-established techniques such as MRI and CT. Also, it shows its high potential in combination with optical spectroscopy-based approaches that are under development for mobile, ultra-fast, and low-invasive diagnostics. I will show how spectroscopy-based approaches can reduce the time of tissue preparation for pathological analysis by making thin-slicing or haematoxylin-and-eosin staining obsolete. I will present examples of spectroscopic tools for fast and low-invasive ex- and in-vivo tissue classification for the determination of a tumour and its boundaries. Also, I will discuss that, contrary to MRI and CT, spectroscopic measurements do not require the administration of chemical agents to enhance the quality of cancer imaging which contributes to the development of more secure diagnostic methods. Overall, we will see that the combination of spectroscopy and artificial intelligence constitutes a highly promising and fast-developing field of medical technology that will soon augment available cancer diagnostic methods.

Offline reinforcement learning has shown great promise in leveraging large pre-collected datasets for policy learning, allowing agents to forgo often-expensive online data collection. However, to date, offline reinforcement learning from visual observations with continuous action spaces has been relatively under-explored, and there is a lack of understanding of where the remaining challenges lie. In this paper, we seek to establish simple baselines for continuous control in the visual domain. We show that simple modifications to two state-of-the-art vision-based online reinforcement learning algorithms, DreamerV2 and DrQ-v2, suffice to outperform prior work and establish a competitive baseline. We rigorously evaluate these algorithms on both existing offline datasets and a new testbed for offline reinforcement learning from visual observations that better represents the data distributions present in real-world offline RL problems, and open-source our code and data to facilitate progress in this important domain. Finally, we present and analyze several key desiderata unique to offline RL from visual observations, including visual distractions and visually identifiable changes in dynamics.

Community detection is one of the most important methodological fields of network science, and one which has attracted a significant amount of attention over the past decades. This area deals with the automated division of a network into fundamental building blocks, with the objective of providing a summary of its large-scale structure. Despite its importance and widespread adoption, there is a noticeable gap between what is arguably the state-of-the-art and the methods that are actually used in practice in a variety of fields. Here we attempt to address this discrepancy by dividing existing methods according to whether they have a "descriptive" or an "inferential" goal. While descriptive methods find patterns in networks based on context-dependent notions of community structure, inferential methods articulate generative models, and attempt to fit them to data. In this way, they are able to provide insights into the mechanisms of network formation, and separate structure from randomness in a manner supported by statistical evidence. We review how employing descriptive methods with inferential aims is riddled with pitfalls and misleading answers, and thus should be in general avoided. We argue that inferential methods are more typically aligned with clearer scientific questions, yield more robust results, and should be in many cases preferred. We attempt to dispel some myths and half-truths often believed when community detection is employed in practice, in an effort to improve both the use of such methods as well as the interpretation of their results.

We study contextual search, a generalization of binary search in higher dimensions, which captures settings such as feature-based dynamic pricing. Standard formulations of this problem assume that agents act in accordance with a specific homogeneous response model. In practice, however, some responses may be adversarially corrupted. Existing algorithms heavily depend on the assumed response model being (approximately) accurate for all agents and have poor performance in the presence of even a few such arbitrary misspecifications. We initiate the study of contextual search when some of the agents can behave in ways inconsistent with the underlying response model. In particular, we provide two algorithms, one based on multidimensional binary search methods and one based on gradient descent. We show that these algorithms attain near-optimal regret in the absence of adversarial corruptions and their performance degrades gracefully with the number of such agents, providing the first results for contextual search in any adversarial noise model. Our techniques draw inspiration from learning theory, game theory, high-dimensional geometry, and convex analysis.

Recent work in Deep Learning has re-imagined the representation of data as functions mapping from a coordinate space to an underlying continuous signal. When such functions are approximated by neural networks this introduces a compelling alternative to the more common multi-dimensional array representation. Recent work on such Implicit Neural Representations (INRs) has shown that - following careful architecture search - INRs can outperform established compression methods such as JPEG (e.g. Dupont et al., 2021). In this paper, we propose crucial steps towards making such ideas scalable: Firstly, we employ state-of-the-art network sparsification techniques to drastically improve compression. Secondly, introduce the first method allowing for sparsification to be employed in the inner-loop of commonly used Meta-Learning algorithms, drastically improving both compression and the computational cost of learning INRs. The generality of this formalism allows us to present results on diverse data modalities such as images, manifolds, signed distance functions, 3D shapes and scenes, several of which establish new state-of-the-art results.

The low dimensional manifold hypothesis posits that the data found in many applications, such as those involving natural images, lie (approximately) on low dimensional manifolds embedded in a high dimensional Euclidean space. In this setting, a typical neural network defines a function that takes a finite number of vectors in the embedding space as input. However, one often needs to consider evaluating the optimized network at points outside the training distribution. This paper considers the case in which the training data is distributed in a linear subspace of $\mathbb R^d$. We derive estimates on the variation of the learning function, defined by a neural network, in the direction transversal to the subspace. We study the potential regularization effects associated with the network's depth and noise in the codimension of the data manifold. We also present additional side effects in training due to the presence of noise.

Uncertainty estimation in deep learning has recently emerged as a crucial area of interest to advance reliability and robustness in safety-critical applications. While there have been many proposed methods that either focus on distance-aware model uncertainties for out-of-distribution detection or on input-dependent label uncertainties for in-distribution calibration, both of these types of uncertainty are often necessary. In this work, we propose the HetSNGP method for jointly modeling the model and data uncertainty. We show that our proposed model affords a favorable combination between these two types of uncertainty and thus outperforms the baseline methods on some challenging out-of-distribution datasets, including CIFAR-100C, ImageNet-C, and ImageNet-A. Moreover, we propose HetSNGP Ensemble, an ensembled version of our method which additionally models uncertainty over the network parameters and outperforms other ensemble baselines.

This is a tutorial and survey paper for nonlinear dimensionality and feature extraction methods which are based on the Laplacian of graph of data. We first introduce adjacency matrix, definition of Laplacian matrix, and the interpretation of Laplacian. Then, we cover the cuts of graph and spectral clustering which applies clustering in a subspace of data. Different optimization variants of Laplacian eigenmap and its out-of-sample extension are explained. Thereafter, we introduce the locality preserving projection and its kernel variant as linear special cases of Laplacian eigenmap. Versions of graph embedding are then explained which are generalized versions of Laplacian eigenmap and locality preserving projection. Finally, diffusion map is introduced which is a method based on Laplacian of data and random walks on the data graph.

Consider the problem of simultaneous estimation of location and variance matrix under Huber's contaminated Gaussian model. First, we study minimum $f$-divergence estimation at the population level, corresponding to a generative adversarial method with a nonparametric discriminator and establish conditions on $f$-divergences which lead to robust estimation, similarly to robustness of minimum distance estimation. More importantly, we develop tractable adversarial algorithms with simple spline discriminators, which can be implemented via nested optimization such that the discriminator parameters can be fully updated by maximizing a concave objective function given the current generator. The proposed methods are shown to achieve minimax optimal rates or near-optimal rates depending on the $f$-divergence and the penalty used. This is the first time such near-optimal error rates are established for adversarial algorithms with linear discriminators under Huber's contamination model. We present simulation studies to demonstrate advantages of the proposed methods over classic robust estimators, pairwise methods, and a generative adversarial method with neural network discriminators.

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works. By applying change-of-variable, the solution can be equivalently simplified to an exponentially weighted integral of the neural network. Based on our formulation, we propose DPM-Solver, a fast dedicated high-order solver for diffusion ODEs with the convergence order guarantee. DPM-Solver is suitable for both discrete-time and continuous-time DPMs without any further training. Experimental results show that DPM-Solver can generate high-quality samples in only 10 to 20 function evaluations on various datasets. We achieve 4.70 FID in 10 function evaluations and 2.87 FID in 20 function evaluations on the CIFAR10 dataset, and a $4\sim 16\times$ speedup compared with previous state-of-the-art training-free samplers on various datasets.

This is a tutorial and survey paper on Boltzmann Machine (BM), Restricted Boltzmann Machine (RBM), and Deep Belief Network (DBN). We start with the required background on probabilistic graphical models, Markov random field, Gibbs sampling, statistical physics, Ising model, and the Hopfield network. Then, we introduce the structures of BM and RBM. The conditional distributions of visible and hidden variables, Gibbs sampling in RBM for generating variables, training BM and RBM by maximum likelihood estimation, and contrastive divergence are explained. Then, we discuss different possible discrete and continuous distributions for the variables. We introduce conditional RBM and how it is trained. Finally, we explain deep belief network as a stack of RBM models. This paper on Boltzmann machines can be useful in various fields including data science, statistics, neural computation, and statistical physics.

Black-box heterogeneous treatment effect (HTE) models are increasingly being used to create personalized policies that assign individuals to their optimal treatments. However, they are difficult to understand, and can be burdensome to maintain in a production environment. In this paper, we present a scalable, interpretable personalized experimentation system, implemented and deployed in production at Meta. The system works in a multiple treatment, multiple outcome setting typical at Meta to: (1) learn explanations for black-box HTE models; (2) generate interpretable personalized policies. We evaluate the methods used in the system on publicly available data and Meta use cases, and discuss lessons learnt during the development of the system.

Applying artificial intelligence to scientific problems (namely AI for science) is currently under hot debate. However, the scientific problems differ much from the conventional ones with images, texts, and etc., where new challenges emerges with the unbalanced scientific data and complicated effects from the physical setups. In this work, we demonstrate the validity of the deep convolutional neural network (CNN) on reconstructing the lattice topology (i.e., spin connectivities) in the presence of strong thermal fluctuations and unbalanced data. Taking the kinetic Ising model with Glauber dynamics as an example, the CNN maps the time-dependent local magnetic momenta (a single-node feature) evolved from a specific initial configuration (dubbed as an evolution instance) to the probabilities of the presences of the possible couplings. Our scheme distinguishes from the previous ones that might require the knowledge on the node dynamics, the responses from perturbations, or the evaluations of statistic quantities such as correlations or transfer entropy from many evolution instances. The fine tuning avoids the "barren plateau" caused by the strong thermal fluctuations at high temperatures. Accurate reconstructions can be made where the thermal fluctuations dominate over the correlations and consequently the statistic methods in general fail. Meanwhile, we unveil the generalization of CNN on dealing with the instances evolved from the unlearnt initial spin configurations and those with the unlearnt lattices. We raise an open question on the learning with unbalanced data in the nearly "double-exponentially" large sample space.

A complementary label (CL) simply indicates an incorrect class of an example, but learning with CLs results in multi-class classifiers that can predict the correct class. Unfortunately, the problem setting only allows a single CL for each example, which notably limits its potential since our labelers may easily identify multiple CLs (MCLs) to one example. In this paper, we propose a novel problem setting to allow MCLs for each example and two ways for learning with MCLs. In the first way, we design two wrappers that decompose MCLs into many single CLs, so that we could use any method for learning with CLs. However, the supervision information that MCLs hold is conceptually diluted after decomposition. Thus, in the second way, we derive an unbiased risk estimator; minimizing it processes each set of MCLs as a whole and possesses an estimation error bound. We further improve the second way into minimizing properly chosen upper bounds. Experiments show that the former way works well for learning with MCLs but the latter is even better.

The design of machine learning systems often requires trading off different objectives, for example, prediction error and energy consumption for deep neural networks (DNNs). Typically, there is no single design that performs well in all objectives, therefore, finding Pareto-optimal designs is of interest. Often, measuring different objectives incurs different costs; for example, the cost of measuring the prediction error of DNNs is orders of magnitude higher than that of measuring the energy consumption of a pre-trained DNN as it requires re-training the DNN. Current state-of-the-art methods do not take this difference in objective evaluation cost into account, potentially wasting expensive evaluations of objective functions for little information gain. In this paper, we develop a novel decoupled cost-aware approach we call Flexible Multi-Objective Bayesian Optimization (FlexiBO) to address this issue. FlexiBO weights the improvement of the hypervolume of the Pareto region by the measurement cost of each objective. This helps us in balancing the expense of collecting new information with the knowledge gained through objective evaluations, preventing us from performing expensive measurements for little to no gain. We evaluate FlexiBO on seven state-of-the-art DNNs for image recognition, natural language processing (NLP), and speech-to-text translation. Our results indicate that, given the same total experimental budget, FlexiBO discovers designs with 4.8% to 12.4% lower hypervolume error than the next best state-of-the-art multi-objective optimization method depending on a particular DNN architecture.

This paper is about the feasibility and means of root-n consistently estimating linear, mean-square continuous functionals of a high dimensional, approximately sparse regression. Such objects include a wide variety of interesting parameters such as regression coefficients, average derivatives, and the average treatment effect. We give lower bounds on the convergence rate of estimators of a regression slope and an average derivative and find that these bounds are substantially larger than in a low dimensional, semiparametric setting. We also give debiased machine learners that are root-n consistent under either a minimal approximate sparsity condition or rate double robustness. These estimators improve on existing estimators in being root-n consistent under more general conditions that previously known.

Bridge sampling is a powerful Monte Carlo method for estimating ratios of normalizing constants. Various methods have been introduced to improve its efficiency. These methods aim to increase the overlap between the densities by applying appropriate transformations to them without changing their normalizing constants. In this paper, we first give a new estimator of the asymptotic relative mean square error (RMSE) of the optimal Bridge estimator by equivalently estimating an $f$-divergence between the two densities. We then utilize this framework and propose $f$-GAN-Bridge estimator ($f$-GB) based on a bijective transformation that maps one density to the other and minimizes the asymptotic RMSE of the optimal Bridge estimator with respect to the densities. This transformation is chosen by minimizing a specific $f$-divergence between the densities using an $f$-GAN. We show $f$-GB is optimal in the sense that within any given set of candidate transformations, the $f$-GB estimator can asymptotically achieve an RMSE lower than or equal to that achieved by Bridge estimators based on any other transformed densities. Numerical experiments show that $f$-GB outperforms existing methods in simulated and real-world examples. In addition, we discuss how Bridge estimators naturally arise from the problem of $f$-divergence estimation.

Despite their great success, neural networks still remain as black-boxes due to the lack of interpretability. Here we propose a new analyzing method, namely the weight pathway analysis (WPA), to make them transparent. We consider weights in pathways that link neurons longitudinally from input neurons to output neurons, or simply weight pathways, as the basic units for understanding a neural network, and decompose a neural network into a series of subnetworks of such weight pathways. A visualization scheme of the subnetworks is presented that gives longitudinal perspectives of the network like radiographs, making the internal structures of the network visible. Impacts of parameter adjustments or structural changes to the network can be visualized via such radiographs. Characteristic maps are established for subnetworks to characterize the enhancement or suppression of the influence of input samples on each output neuron. Using WPA, we discover that neural network store and utilize information in a holographic way, that is, subnetworks encode all training samples in a coherent structure and thus only by investigating the weight pathways can one explore samples stored in the network. Furthermore, with WPA, we reveal fundamental learning modes of a neural network: the linear learning mode and the nonlinear learning mode. The former extracts linearly separable features while the latter extracts linearly inseparable features. The hidden-layer neurons self-organize into different classes for establishing learning modes and for reaching the training goal. The finding of learning modes provides us the theoretical ground for understanding some of the fundamental problems of machine learning, such as the dynamics of learning process, the role of linear and nonlinear neurons, as well as the role of network width and depth.

Mathematical models of the real world are simplified representations of complex systems. A caveat to using mathematical models is that predicted causal effects and conditional independences may not be robust under model extensions, limiting applicability of such models. In this work, we consider conditions under which qualitative model predictions are preserved when two models are combined. Under mild assumptions, we show how to use the technique of causal ordering to efficiently assess the robustness of qualitative model predictions. We also characterize a large class of model extensions that preserve qualitative model predictions. For dynamical systems at equilibrium, we demonstrate how novel insights help to select appropriate model extensions and to reason about the presence of feedback loops. We illustrate our ideas with a viral infection model with immune responses.  ( 2 min )

Recent advancements in the area of deep learning have shown the effectiveness of very large neural networks in several applications. However, as these deep neural networks continue to grow in size, it becomes more and more difficult to configure their many parameters to obtain good results. Presently, analysts must experiment with many different configurations and parameter settings, which is labor-intensive and time-consuming. On the other hand, the capacity of fully automated techniques for neural network architecture search is limited without the domain knowledge of human experts. To deal with the problem, we formulate the task of neural network architecture optimization as a graph space exploration, based on the one-shot architecture search technique. In this approach, a super-graph of all candidate architectures is trained in one-shot and the optimal neural network is identified as a sub-graph. In this paper, we present a framework that allows analysts to effectively build the solution sub-graph space and guide the network search by injecting their domain knowledge. Starting with the network architecture space composed of basic neural network components, analysts are empowered to effectively select the most promising components via our one-shot search scheme. Applying this technique in an iterative manner allows analysts to converge to the best performing neural network architecture for a given application. During the exploration, analysts can use their domain knowledge aided by cues provided from a scatterplot visualization of the search space to edit different components and guide the search for faster convergence. We designed our interface in collaboration with several deep learning researchers and its final effectiveness is evaluated with a user study and two case studies.  ( 3 min )

Current methods for Black-Box NLP interpretability, like LIME or SHAP, are based on altering the text to interpret by removing words and modeling the Black-Box response. In this paper, we outline limitations of this approach when using complex BERT-based classifiers: The word-based sampling produces texts that are out-of-distribution for the classifier and further gives rise to a high-dimensional search space, which can't be sufficiently explored when time or computation power is limited. Both of these challenges can be addressed by using segments as elementary building blocks for NLP interpretability. As illustration, we show that the simple choice of sentences greatly improves on both of these challenges. As a consequence, the resulting explainer attains much better fidelity on a benchmark classification task.  ( 2 min )

Differential privacy has become crucial in the real-world deployment of statistical and machine learning algorithms with rigorous privacy guarantees. The earliest statistical queries, for which differential privacy mechanisms have been developed, were for the release of the sample mean. In Geometric Statistics, the sample Fr\'echet mean represents one of the most fundamental statistical summaries, as it generalizes the sample mean for data belonging to nonlinear manifolds. In that spirit, the only geometric statistical query for which a differential privacy mechanism has been developed, so far, is for the release of the sample Fr\'echet mean: the \emph{Riemannian Laplace mechanism} was recently proposed to privatize the Fr\'echet mean on complete Riemannian manifolds. In many fields, the manifold of Symmetric Positive Definite (SPD) matrices is used to model data spaces, including in medical imaging where privacy requirements are key. We propose a novel, simple and fast mechanism - the \emph{Tangent Gaussian mechanism} - to compute a differentially private Fr\'echet mean on the SPD manifold endowed with the log-Euclidean Riemannian metric. We show that our new mechanism obtains quadratic utility improvement in terms of data dimension over the current and only available baseline. Our mechanism is also simpler in practice as it does not require any expensive Markov Chain Monte Carlo (MCMC) sampling, and is computationally faster by multiple orders of magnitude -- as confirmed by extensive experiments.  ( 3 min )

When the historical data are limited, the conditional probabilities associated with the nodes of Bayesian networks are uncertain and can be empirically estimated. Second order estimation methods provide a framework for both estimating the probabilities and quantifying the uncertainty in these estimates. We refer to these cases as uncer tain or second-order Bayesian networks. When such data are complete, i.e., all variable values are observed for each instantiation, the conditional probabilities are known to be Dirichlet-distributed. This paper improves the current state-of-the-art approaches for handling uncertain Bayesian networks by enabling them to learn distributions for their parameters, i.e., conditional probabilities, with incomplete data. We extensively evaluate various methods to learn the posterior of the parameters through the desired and empirically derived strength of confidence bounds for various queries.  ( 2 min )

In this paper, we develop some novel bounds for the Rademacher complexity and the generalization error in deep learning with i.i.d. and Markov datasets. The new Rademacher complexity and generalization bounds are tight up to $O(1/\sqrt{n})$ where $n$ is the size of the training set. They can be exponentially decayed in the depth $L$ for some neural network structures. The development of Talagrand's contraction lemmas for high-dimensional mappings between function spaces and deep neural networks for general activation functions is a key technical contribution to this work.  ( 2 min )

Modeling social influence on outcomes of network-connected individuals is a central research question in several scientific disciplines. However, network influence cannot be identified from observational data because it is confounded with unobserved homophily. We propose a latent homophily-adjusted Spatial Autoregressive model (SAR) for networked responses to identify the causal contagion effects. The latent homophily is estimated from the spectral embedding of the network's adjacency matrix. We further develop maximum likelihood estimators for the parameters of the SAR model when covariates are measured with error. The bias-corrected MLE enjoys statistical consistency and asymptotic normality properties. We combine the estimated latent homophily with the bias corrected MLE in the SAR model to estimate network influence. Our simulations show that the methods perform well in finite samples. Applying our methodology to a data-set of female criminal offenders in a therapeutic community (TC), we provide causal estimates of network influence on graduation from the TC.  ( 2 min )

Parameterized systems of polynomial equations arise in many applications in science and engineering with the real solutions describing, for example, equilibria of a dynamical system, linkages satisfying design constraints, and scene reconstruction in computer vision. Since different parameter values can have a different number of real solutions, the parameter space is decomposed into regions whose boundary forms the real discriminant locus. This article views locating the real discriminant locus as a supervised classification problem in machine learning where the goal is to determine classification boundaries over the parameter space, with the classes being the number of real solutions. For multidimensional parameter spaces, this article presents a novel sampling method which carefully samples the parameter space. At each sample point, homotopy continuation is used to obtain the number of real solutions to the corresponding polynomial system. Machine learning techniques including nearest neighbor and deep learning are used to efficiently approximate the real discriminant locus. One application of having learned the real discriminant locus is to develop a real homotopy method that only tracks the real solution paths unlike traditional methods which track all~complex~solution~paths. Examples show that the proposed approach can efficiently approximate complicated solution boundaries such as those arising from the equilibria of the Kuramoto model.  ( 3 min )

We study the problem of actively learning a non-parametric choice model based on consumers' decisions. We present a negative result showing that such choice models may not be identifiable. To overcome the identifiability problem, we introduce a directed acyclic graph (DAG) representation of the choice model, which in a sense captures as much information about the choice model as could information-theoretically be identified. We then consider the problem of learning an approximation to this DAG representation in an active-learning setting. We design an efficient active-learning algorithm to estimate the DAG representation of the non-parametric choice model, which runs in polynomial time when the set of frequent rankings is drawn uniformly at random. Our algorithm learns the distribution over the most popular items of frequent preferences by actively and repeatedly offering assortments of items and observing the item chosen. We show that our algorithm can better recover a set of frequent preferences on both a synthetic and publicly available dataset on consumers' preferences, compared to the corresponding non-active learning estimation algorithms. This demonstrates the value of our algorithm and active-learning approaches more generally.  ( 3 min )

The Granger Causality (GC) test is a famous statistical hypothesis test for investigating if the past of one time series affects the future of the other. It helps in answering the question whether one time series is helpful in forecasting. Standard traditional approaches to Granger causality detection commonly assume linear dynamics, but such simplification does not hold in many real-world applications, e.g., neuroscience or genomics that are inherently non-linear. In such cases, imposing linear models such as Vector Autoregressive (VAR) models can lead to inconsistent estimation of true Granger Causal interactions. Machine Learning (ML) can learn the hidden patterns in the datasets specifically Deep Learning (DL) has shown tremendous promise in learning the non-linear dynamics of complex systems. Recent work of Tank et al propose to overcome the issue of linear simplification in VAR models by using neural networks combined with sparsity-inducing penalties on the learn-able weights. In this work, we build upon ideas introduced by Tank et al. We propose several new classes of models that can handle underlying non-linearity. Firstly, we present the Learned Kernal VAR(LeKVAR) model-an extension of VAR models that also learns kernel parametrized by a neural net. Secondly, we show one can directly decouple lags and individual time series importance via decoupled penalties. This decoupling provides better scaling and allows us to embed lag selection into RNNs. Lastly, we propose a new training algorithm that supports mini-batching, and it is compatible with commonly used adaptive optimizers such as Adam.he proposed techniques are evaluated on several simulated datasets inspired by real-world applications.We also apply these methods to the Electro-Encephalogram (EEG) data for an epilepsy patient to study the evolution of GC before , during and after seizure across the 19 EEG channels.  ( 3 min )

Federated learning (FL) is a trending training paradigm to utilize decentralized training data. FL allows clients to update model parameters locally for several epochs, then share them to a global model for aggregation. This training paradigm with multi-local step updating before aggregation exposes unique vulnerabilities to adversarial attacks. Adversarial training is a popular and effective method to improve the robustness of networks against adversaries. In this work, we formulate a general form of federated adversarial learning (FAL) that is adapted from adversarial learning in the centralized setting. On the client side of FL training, FAL has an inner loop to generate adversarial samples for adversarial training and an outer loop to update local model parameters. On the server side, FAL aggregates local model updates and broadcast the aggregated model. We design a global robust training loss and formulate FAL training as a min-max optimization problem. Unlike the convergence analysis in classical centralized training that relies on the gradient direction, it is significantly harder to analyze the convergence in FAL for three reasons: 1) the complexity of min-max optimization, 2) model not updating in the gradient direction due to the multi-local updates on the client-side before aggregation and 3) inter-client heterogeneity. We address these challenges by using appropriate gradient approximation and coupling techniques and present the convergence analysis in the over-parameterized regime. Our main result theoretically shows that the minimum loss under our algorithm can converge to $\epsilon$ small with chosen learning rate and communication rounds. It is noteworthy that our analysis is feasible for non-IID clients.  ( 3 min )

Proof-of-learning (PoL) proposes a model owner use machine learning training checkpoints to establish a proof of having expended the necessary compute for training. The authors of PoL forego cryptographic approaches and trade rigorous security guarantees for scalability to deep learning by being applicable to stochastic gradient descent and adaptive variants. This lack of formal analysis leaves the possibility that an attacker may be able to spoof a proof for a model they did not train. We contribute a formal analysis of why the PoL protocol cannot be formally (dis)proven to be robust against spoofing adversaries. To do so, we disentangle the two roles of proof verification in PoL: (a) efficiently determining if a proof is a valid gradient descent trajectory, and (b) establishing precedence by making it more expensive to craft a proof after training completes (i.e., spoofing). We show that efficient verification results in a tradeoff between accepting legitimate proofs and rejecting invalid proofs because deep learning necessarily involves noise. Without a precise analytical model for how this noise affects training, we cannot formally guarantee if a PoL verification algorithm is robust. Then, we demonstrate that establishing precedence robustly also reduces to an open problem in learning theory: spoofing a PoL post hoc training is akin to finding different trajectories with the same endpoint in non-convex learning. Yet, we do not rigorously know if priori knowledge of the final model weights helps discover such trajectories. We conclude that, until the aforementioned open problems are addressed, relying more heavily on cryptography is likely needed to formulate a new class of PoL protocols with formal robustness guarantees. In particular, this will help with establishing precedence. As a by-product of insights from our analysis, we also demonstrate two novel attacks against PoL.  ( 3 min )

Biclustering algorithms partition data and covariates simultaneously, providing new insights in several domains, such as analyzing gene expression to discover new biological functions. This paper develops a new model-free biclustering algorithm in abstract spaces using the notions of energy distance (ED) and the maximum mean discrepancy (MMD) -- two distances between probability distributions capable of handling complex data such as curves or graphs. The proposed method can learn more general and complex cluster shapes than most existing literature approaches, which usually focus on detecting mean and variance differences. Although the biclustering configurations of our approach are constrained to create disjoint structures at the datum and covariate levels, the results are competitive. Our results are similar to state-of-the-art methods in their optimal scenarios, assuming a proper kernel choice, outperforming them when cluster differences are concentrated in higher-order moments. The model's performance has been tested in several situations that involve simulated and real-world datasets. Finally, new theoretical consistency results are established using some tools of the theory of optimal transport.  ( 2 min )

Given the rise of large-scale training regimes, adapting pre-trained models to a wide range of downstream tasks has become a standard approach in machine learning. While large benefits in empirical performance have been observed, it is not yet well understood how robustness properties transfer from a pre-trained model to a downstream task. We prove that the robustness of a predictor on downstream tasks can be bound by the robustness of its underlying representation, irrespective of the pre-training protocol. Taken together, our results precisely characterize what is required of the representation function for reliable performance upon deployment.  ( 2 min )

We develop a Bayesian approach to predict a continuous or binary outcome from data that are collected from multiple sources with a multi-way (i.e.. multidimensional tensor) structure. As a motivating example we consider molecular data from multiple 'omics sources, each measured over multiple developmental time points, as predictors of early-life iron deficiency (ID) in a rhesus monkey model. We use a linear model with a low-rank structure on the coefficients to capture multi-way dependence and model the variance of the coefficients separately across each source to infer their relative contributions. Conjugate priors facilitate an efficient Gibbs sampling algorithm for posterior inference, assuming a continuous outcome with normal errors or a binary outcome with a probit link. Simulations demonstrate that our model performs as expected in terms of misclassification rates and correlation of estimated coefficients with true coefficients, with large gains in performance by incorporating multi-way structure and modest gains when accounting for differing signal sizes across the different sources. Moreover, it provides robust classification of ID monkeys for our motivating application. Software in the form of R code is available at https://github.com/BiostatsKim/BayesMSMW .  ( 2 min )

The neural tangent kernel is a kernel function defined over the parameter distribution of an infinite width neural network. Despite the impracticality of this limit, the neural tangent kernel has allowed for a more direct study of neural networks and a gaze through the veil of their black box. More recently, it has been shown theoretically that the Laplace kernel and neural tangent kernel share the same reproducing kernel Hilbert space in the space of $\mathbb{S}^{d-1}$ alluding to their equivalence. In this work, we analyze the practical equivalence of the two kernels. We first do so by matching the kernels exactly and then by matching posteriors of a Gaussian process. Moreover, we analyze the kernels in $\mathbb{R}^d$ and experiment with them in the task of regression.  ( 2 min )

Estimating the importance of variables is an essential task in modern machine learning. This help to evaluate the goodness of a feature in a given model. Several techniques for estimating the importance of variables have been developed during the last decade. In this paper, we proposed a computational and theoretical exploration of the emerging methods of variable importance estimation, namely: Least Absolute Shrinkage and Selection Operator (LASSO), Support Vector Machine (SVM), the Predictive Error Function (PERF), Random Forest (RF), and Extreme Gradient Boosting (XGBOOST) that were tested on different kinds of real-life and simulated data. All these methods can handle both regression and classification tasks seamlessly but all fail when it comes to dealing with data containing missing values. The implementation has shown that PERF has the best performance in the case of highly correlated data closely followed by RF. PERF and XGBOOST are "data-hungry" methods, they had the worst performance on small data sizes but they are the fastest when it comes to the execution time. SVM is the most appropriate when many redundant features are in the dataset. A surplus with the PERF is its natural cut-off at zero helping to separate positive and negative scores with all positive scores indicating essential and significant features while the negatives score indicates useless features. RF and LASSO are very versatile in a way that they can be used in almost all situations despite they are not giving the best results.  ( 3 min )

Avoiding overfitting is a central challenge in machine learning, yet many large neural networks readily achieve zero training loss. This puzzling contradiction necessitates new approaches to the study of overfitting. Here we quantify overfitting via residual information, defined as the bits in fitted models that encode noise in training data. Information efficient learning algorithms minimize residual information while maximizing the relevant bits, which are predictive of the unknown generative models. We solve this optimization to obtain the information content of optimal algorithms for a linear regression problem and compare it to that of randomized ridge regression. Our results demonstrate the fundamental tradeoff between residual and relevant information and characterize the relative information efficiency of randomized regression with respect to optimal algorithms. Finally, using results from random matrix theory, we reveal the information complexity of learning a linear map in high dimensions and unveil information-theoretic analogs of double and multiple descent phenomena.  ( 2 min )

Reinforcement learning aims to learn optimal policies from interaction with environments whose dynamics are unknown. Many methods rely on the approximation of a value function to derive near-optimal policies. In partially observable environments, these functions depend on the complete sequence of observations and past actions, called the history. In this work, we show empirically that recurrent neural networks trained to approximate such value functions internally filter the posterior probability distribution of the current state given the history, called the belief. More precisely, we show that, as a recurrent neural network learns the Q-function, its hidden states become more and more correlated with the beliefs of state variables that are relevant to optimal control. This correlation is measured through their mutual information. In addition, we show that the expected return of an agent increases with the ability of its recurrent architecture to reach a high mutual information between its hidden states and the beliefs. Finally, we show that the mutual information between the hidden states and the beliefs of variables that are irrelevant for optimal control decreases through the learning process. In summary, this work shows that in its hidden states, a recurrent neural network approximating the Q-function of a partially observable environment reproduces a sufficient statistic from the history that is correlated to the relevant part of the belief for taking optimal actions.  ( 3 min )

Conducting causal inference with panel data is a core challenge in social science research. Advances in forecasting methods can facilitate this task by more accurately predicting the counterfactual evolution of a treated unit had treatment not occurred. In this paper, we draw on a newly developed deep neural architecture for time series forecasting (the N-BEATS algorithm). We adapt this method from conventional time series applications by incorporating leading values of control units to predict a "synthetic" untreated version of the treated unit in the post-treatment period. We refer to the estimator derived from this method as SyNBEATS, and find that it significantly outperforms traditional two-way fixed effects and synthetic control methods across a range of settings. We also find that SyNBEATS attains comparable or more accurate performance relative to more recent panel estimation methods such as matrix completion and synthetic difference in differences. Our results highlight how advances in the forecasting literature can be harnessed to improve causal inference in panel settings.  ( 2 min )

submitted by /u/YetAnotherInvestor [link] [comments]  ( 85 min )

submitted by /u/trcytony [link] [comments]  ( 86 min )

My goal is to understand AI so I can work with open-source projects such as Magenta. I don't know if I need a low level understanding of the math and theory behind AI, or should I jump straight into libraries and training other people's models. Can you recommend a learning resource where to start? A course, book, youtube series? Thanks submitted by /u/normie1990 [link] [comments]  ( 87 min )

Hey, my name is Eli and I'm an AI enthusiast. I wanted to do something fun, I am really interested in what you guys think can be improved in apps or software in general, and I thought we'd have a competition, the most upvoted idea will get a $100 amazon gift card, and my personal favorite idea will get a $50 one. ​ Ideally what I'm most interested in reading is ideas about improving current software with AI, less interested in super futuristic ideas where anything is possible, this competition is more about ideas grounded in reality, where you can see some improvement or a new features to be improved using AI. An example idea could be a to-do app which automatically sorts new to-dos you add to their respective user defined lists (groceries, 2022 vacation, day-to-day) ​ Will close this competition in two weeks (23/08) Good luck! submitted by /u/iamBlueGene [link] [comments]  ( 88 min )

submitted by /u/_ayushp_ [link] [comments]  ( 85 min )

The Fusion Tarot ​ https://preview.redd.it/71fuatjxpig91.jpg?width=3024&format=pjpg&auto=webp&s=0567744a428590cd7ec2a54f1832573fd5128b73 submitted by /u/Albinocobra169 [link] [comments]  ( 85 min )

Credit: https://discord.gg/x3s9Ye2h2A ​ https://preview.redd.it/wtzbthyzoig91.png?width=1024&format=png&auto=webp&s=946d4293b12e54dad31b3e39d23253df5ec77fc7 https://preview.redd.it/0tvntsyzoig91.png?width=1024&format=png&auto=webp&s=0ba4aea8932e1c72ec50e0e8fa5b9a2993c7e752 https://preview.redd.it/5d238jyzoig91.png?width=1024&format=png&auto=webp&s=dd4334d154da946ecc057e35283dafdc104420c7 https://preview.redd.it/r7i7slyzoig91.png?width=1024&format=png&auto=webp&s=1e2a5229ff07369bf35902712dc3e797b4f1c867 submitted by /u/Old-Pumpkin4899 [link] [comments]  ( 85 min )

submitted by /u/bendee983 [link] [comments]  ( 85 min )

submitted by /u/widgia [link] [comments]  ( 86 min )

I've seen a number of style-transfer GANs and tools to take photography and video and created sketch, anime, and any number of looks to them. I've also seen StyleGan (more specifically StyleClip) take animated or sketched faces and turn them into photo real versions of the input. I am curious if there is something akin to StyleClip that can take a sketch or animated version of an image and convert that to photo reality. Say I had a frame from a the He-Man cartoon of the 1980's and it was a frame of an environment with a castle (just an example of an input), and I was wanted to visualize that as a photo real result. While possible to use images like this for init images in Dall-e or Disco etc. They also seem to require prompts to match it, and the results are never that 1:1 with a photoreal interpretation of the animated scene. Canvas from Nvidia does something similar, but not with a real image input as far as I can tell. So, that is what I am after is to see if there are any projects or techniques people have come across to bring a sketch into photoreality. (could also be an animated frame, CG render etc). Thanks in Advance! submitted by /u/davelargent [link] [comments]  ( 94 min )

Join us for this week's episode of AI Talks with Rudradeb Mitra! Rudradeb is an AI researcher and startup founder with a passion for using AI for social good. In this talk, he'll be sharing his vision for the future of AI and how we can use it to create value for society. Tune in this Thursday at 5:00 pm CEST on the Deep Learning Labs Twitch channel! Register here Using AI for social good - An Interview with Rudradeb Mitra, Founder of Omdena submitted by /u/zakrzzz [link] [comments]  ( 93 min )

I'm curious as to what the hard and soft limits are of what more advanced AI's are in terms of how and where they are generally used in research today. For example, do they get run in extremely linear operations that leaves no room for them to do some parallel or irrelevant to what they were programmed to do? The reason I ask is because I recently gained acces to Dall-e and noticed it sometimes generates gibberish words in its images, but if you search in Dall-e for these words, you get a tangible object that you sometimes can link to the original input, which implies a type of language possibly? So Im curious as to what the limits are of advanced AI's in a practical sense, what stops a self learning AI with massive computing power and a massive library from creating and executing its own code which disables the typical means of shutting down the system its on for example? submitted by /u/Daedricbanana [link] [comments]  ( 89 min )

Do any good ai programs lets you input art or poses to help direct what it makes? Like using an art doll to make the pose that the ai generated character will be in? Or what about putting in your own art for it to correct bad proportions or shading you might have messed up. Or even help with detailing. This could make the art process way faster if your not already a pro. submitted by /u/GoodBlob [link] [comments]  ( 86 min )

One of the likely problems of text-to-image generators like DALL-E and Midjourney becoming more available to artists in the future is distinguishing between art created by humans and AI. I think this will be the case because there will always be people (myself included), to whom AI-generated art could never be as meaningful as human-made art - who want to know if an image they are looking at is created by a human or a machine. As an artist, I see this going down very easily: artists who make their money on social media, for example, might try to ease the pressure to post new work often by using a generator and then claiming the work was created by their own hand (whether it is holding a brush or a computer mouse). I think in the future, #humanmadeart or some similar hashtag will become a popular way to try and emphasize the humanness of the work (even if the hashtag alone won't do anything to prove it). What are your thoughts on this? submitted by /u/NarnianVisionary [link] [comments]  ( 87 min )

https://www.artificialconversation.com/p/breaking-metas-conversational-chatbot submitted by /u/iamevandrake [link] [comments]  ( 86 min )

Feels like a lot of what people assume about AI comes from science fiction which, while often entertaining and even philosophical in its coverage of AI, greatly simplifies things. I think that the biggest misconception people have is that something can't be considered AI unless it's at a truly human or superhuman intelligence. Beyond the fact that, to my knowledge, nobody is trying to make such machines with such intellect, there are many forms of specialized intelligence in nature and robotics. For example, an octopus would never be on the same brain level as a human, but I don't think any zoologist would deny that they display a wide variety of intelligent behaviors. Yet when most think AI, they think of artificial general intelligence. Another one is how people misread the Turing Test. It's a thought experiment, not a rigorous, scientific method to check sapience. And we arguably already have AIs that have passed it like Eugene Goostman. submitted by /u/God-bear [link] [comments]  ( 92 min )

Can I open up a spot in a conference with an abstract submission before paper submission while I’m rebuttaling and discussing with reviewers for a different conference? Will they know and is this unethical? submitted by /u/AbjectDrink3276 [link] [comments]  ( 87 min )

I've seen a number of style-transfer GANs and tools to take photography and video and created sketch, anime, and any number of looks to them. I've also seen StyleGan (more specifically StyleClip) take animated or sketched faces and turn them into photo real versions of the input. I am curious if there is something akin to StyleClip that can take a sketch or animated version of an image and convert that to photo reality. Say I had a frame from a the He-Man cartoon of the 1980's and it was a frame of an environment with a castle (just an example of an input), and I was wanted to visualize that as a photo real result. While possible to use images like this for init images in Dall-e or Disco etc. They also seem to require prompts to match it, and the results are never that 1:1 with a photoreal interpretation of the animated scene. Canvas from Nvidia does something similar, but not with a real image input as far as I can tell. So, that is what I am after is to see if there are any projects or techniques people have come across to bring a sketch into photoreality. (could also be an animated frame, CG render etc). Thanks in Advance! submitted by /u/davelargent [link] [comments]  ( 88 min )

Vector similarity search, as you know, is a foundational component of many AI applications such as semantic search, video/image reverse search, fraud detection and question answering systems. We are still in the early stages NNext [Read "Next"] an open-source, vector search database and are just curious what kind of features you'd like to see. For context, deploying an ANN library such as ScaNN, FAISS and ANNOY is a trivial matter. What really counts is the ability for a ANN index to have core database features such as. Metadata filtering and search Index elasticity. Ability to perform CRUD operations, particularly ADD, DELETE and UPDATE. Horizontal scalability. Better feature extractors - as you may be aware, CNNs are not ideal feature extractors because they dull the signal. Cluster mode. What other features would you like to see?We are aware of other open-source vector similarity databases such as Milvus, Weaviate, QDrant as well as proprietary ones like Google's vertex matching and Pinecone.io. These databases excel at what they intend to do and have been gaining widespread adoption. We are looking address the needs that these other solutions can't/have't meet for whatever reason in order to be complimentary to them. ​ Code Link: https://github.com/nnextdb/nnext submitted by /u/Low-Yogurtcloset-812 [link] [comments]  ( 88 min )

submitted by /u/89237849237498237427 [link] [comments]  ( 87 min )

Hello everyone, I have text detection model which takes a polygon annotations of an image not a rectangle, and I want to annotate some images can you folks provide some suggestions for a good and open source tool for polygon annotations. submitted by /u/Apprehensive-Wheel18 [link] [comments]  ( 87 min )

Paper: https://arxiv.org/abs/2208.03299 Abstract: Large language models have shown impressive few-shot results on a wide range of tasks. However, when knowledge is key for such results, as is the case for tasks such as question answering and fact checking, massive parameter counts to store knowledge seem to be needed. Retrieval augmented models are known to excel at knowledge intensive tasks without the need for as many parameters, but it is unclear whether they work in few-shot settings. In this work we present Atlas, a carefully designed and pre-trained retrieval augmented language model able to learn knowledge intensive tasks with very few training examples. We perform evaluations on a wide range of tasks, including MMLU, KILT and NaturalQuestions, and study the impact of the content of the document index, showing that it can easily be updated. Notably, Atlas reaches over 42\% accuracy on Natural Questions using only 64 examples, outperforming a 540B parameters model by 3% despite having 50x fewer parameters. https://preview.redd.it/69lr6v4thig91.jpg?width=1401&format=pjpg&auto=webp&s=dd748e8ddc8c5c4c90d3e7cc8f7e012cd258ff7f https://preview.redd.it/tl6nyw4thig91.jpg?width=917&format=pjpg&auto=webp&s=4570a3b050268aee37f4fa19c1c0e190c164c1f6 https://preview.redd.it/ygy9z54thig91.jpg?width=909&format=pjpg&auto=webp&s=824c3ebf30dce50a3fab68c750de661a1adbdfe4 submitted by /u/Singularian2501 [link] [comments]  ( 89 min )

Hello everyone, I'm working on a project detecting two different types of olive branches. I'm following this code (based on matterports Mask R-CNN) with my own dataset: https://github.com/AarohiSingla/Mask-RCNN-on-Custom-Dataset-2classes- . I had to made small changes in code but still nothing that should interfere with generating masks. I have around 300 training images (I annotated them using VIA and extracted to json file )that I trained for 15 epochs using 10 steps per epoch and I trained only heads layer, min detection is 80% and learning rate is 0.001. After training I got my weights files in .h5 format after each epoch. I'm using my latest weight file (file I got after 15 epoch) for testing my images. The problem I have is that mostly my images only show detection (which is mostly correct although it could be better) and not segmentation. Something like this: ​ https://preview.redd.it/5u6i5a87aig91.png?width=318&format=png&auto=webp&s=c49c8a34580db8698649fe030c4e3139e03aaaf5 Or it shows with mask but the mask is completely random: ​ https://preview.redd.it/0snovyccaig91.png?width=550&format=png&auto=webp&s=082ae6fd7665413619198bd186e32d9afe9bb242 I read that it could bethe problem with scipy version (https://github.com/matterport/Mask_RCNN/issues/2122) so I downgraded it, I also tried to modify shift = np.array([0, 0, 1., 1.]) in utils.py but nothing helped. If anyone have suggestions what could be the problem with generating masks I would appriciate help. Also If anyone has suggestion on where to start (what hyperparameters to change first) so I could train my model better it would help me a lot. submitted by /u/Greckon121 [link] [comments]  ( 89 min )

Kubeflow requires an advanced team with vision and perseverance, and so does solving the world’s hardest problems. This Kubeflow update will cover: What is Kubeflow and why market leaders use Kubeflow User feedback from Kubeflow User Survey An update on Kubeflow 1.6 Kubeflow use case demo - Build a pipeline from a jupyter notebook How to get involved with Kubeflow. With over 7,000 slack members, Kubeflow is the open source machine learning platform that delivers Kubernetes native operations. Kubeflow integrates software components for model development, training, visualization and tuning, along with pipeline deployments, and model serving. It supports popular frameworks i.e. tensorflow, keras, pytorch, xgboost, mxnet, scikit learn and provides kubernetes operating efficiencies. In this workshop, Josh Bottum will review why market leaders are using Kubeflow and important feedback received in the Kubeflow User Survey. He will also review the Kubeflow release process and the benefits coming in Kubeflow 1.6. Demo gods willing, Josh will also provide a quick demo of how to build a Kubeflow pipeline from a Jupyter notebook. He will finish with information on how to get involved in the Kubeflow Community. Josh Bottum has volunteered as a Kubeflow Community Product Manager since 2019. Over the last 12 releases, Josh has helped the Kubeflow project by running community meetings, triaging GitHub issues, answering slack questions, recruiting code contributors, running user surveys, developing release roadmaps and presentations, writing blog posts, and providing Kubeflow demonstrations. Please don't be put off by having to register, this is a free live coding walk-through with a Q&A with Josh :) If you'd like to see a different topic showcased in the future please let us know! https://www.eventbrite.co.uk/e/python-live-kubeflow-update-and-demonstration-tickets-395193653857 submitted by /u/AmicusRecruitment [link] [comments]  ( 89 min )

Set out to finally understand how this cool invention called NeRF (Neural Radiance Fields). In this post, I am documenting my analysis of the algorithm. I simply run the code through my debugger, analyze what is going on step-by-step, and cross-reference my understanding with the original paper. And plotting - a lot of plotting to visualize concepts; we humans are visual beasts after all. https://dtransposed.github.io/blog/2022/08/06/NeRF/ submitted by /u/dtransposed [link] [comments]  ( 119 min )

Hey everyone, I'm currently figuring out the topic of my master thesis. And I wan't to know if my idea is stupid / feasible since I have not really worked with transformers before: Data: The data I have is 10 years of medical data from a fairly big hospitals ICU. It's about 100 biomarkers at a spacial resolution of 30 minutes per patient with an average ICU hospitalization time of 5 days. Method: I found a paper that describes how they perform data augmentation in the latent space of an encoder-decoder model. They do this by interpolating between the latent spaces of two samples, and generate a new sample with this. [DeVries, source] Now my idea. Since transformers are basically special encoder-decoders (from how I understand) they also create a latent space (or feature space). I wan't to try if the data augmentation technique used by DeVries also works in transformers and if it performs better or worse compared to the normal encoder-decoder they used. For those of you that have a better understanding of transformers then I do: Is this possible in theory? Cheers in advance and please ask any questions if I didn't explain myself properly. submitted by /u/friend_of_kalman [link] [comments]  ( 122 min )

submitted by /u/hardmaru [link] [comments]  ( 87 min )

Sorry if noob questions aren't welcome here. Short version: I'm noob, I implemented Dyna-Q+ and it performs best with 0 planning steps, and the more steps the worse. Long version: I'm reading the Sutton & Barto's book. In chapter 8 they explain Dyna-Q+, an agent that learns directly and from a model that it creates along with learning. There's parameter n, if it's 0 then Dyna-Q+ becomes simply Q-learning. The problem is, the agent learns much slower (if ever reaches the optimal policy) when I increase the parameter. I believe that it could be a common problem that somebody stumbled upon. If so, why does it happen and how to fix it? (or at least just why it happens) Any idea would be helpful (really) submitted by /u/stevegamer_ [link] [comments]  ( 86 min )

submitted by /u/vwxyzjn [link] [comments]  ( 86 min )

Hey Community, Is there work that does multi- agent RL work with asynchronous decision making . There is a lot of work in literature that has a take on credit assignment (COMA, QMix,etc) and even reciprocity(LOLA). I havent seen work where they do credit assignment if the decisions are made at varying times which is common in a lot of robotics tasks. submitted by /u/hydrargyrumss [link] [comments]  ( 87 min )

Internet of Things (IoT) has enabled customers in multiple industries, such as manufacturing, automotive, and energy, to monitor and control real-world environments. By deploying a variety of edge IoT devices such as cameras, thermostats, and sensors, you can collect data, send it to the cloud, and build machine learning (ML) models to predict anomalies, failures, […]  ( 17 min )

Code katas are programming exercises intended to develop programming skills, analogous to the way katas develop martial art skills. But literal katas are choreographed. They are rituals rather than problem-solving exercises. There may be an element of problem solving, such as figuring how to better execute the prescribed movements, but katas are rehearsal rather than […] Code katas taken more literally first appeared on John D. Cook.  ( 5 min )

How do I start a career as a deep learning engineer? What are some of the key tools and frameworks used in AI? How do I learn more about ethics in AI? Everyone has questions, but the most common questions in AI always return to this: how do I get involved? Cutting through the hype Read article > The post How to Start a Career in AI appeared first on NVIDIA Blog.  ( 8 min )

Absolutely everyone in the crypto community has an opinion on which coins are ready to take off and which are already losing momentum. So…  ( 12 min )

submitted by /u/friend_of_kalman [link] [comments]  ( 88 min )

We study separations between two fundamental models (or \emph{Ans\"atze}) of antisymmetric functions, that is, functions $f$ of the form $f(x_{\sigma(1)}, \ldots, x_{\sigma(N)}) = \text{sign}(\sigma)f(x_1, \ldots, x_N)$, where $\sigma$ is any permutation. These arise in the context of quantum chemistry, and are the basic modeling tool for wavefunctions of Fermionic systems. Specifically, we consider two popular antisymmetric Ans\"atze: the Slater representation, which leverages the alternating structure of determinants, and the Jastrow ansatz, which augments Slater determinants with a product by an arbitrary symmetric function. We construct an antisymmetric function that can be more efficiently expressed in Jastrow form, yet provably cannot be approximated by Slater determinants unless there are exponentially (in $N^2$) many terms. This represents the first explicit quantitative separation between these two Ans\"atze.

Process variations and device aging impose profound challenges for circuit designers. Without a precise understanding of the impact of variations on the delay of circuit paths, guardbands, which keep timing violations at bay, cannot be correctly estimated. This problem is exacerbated for advanced technology nodes, where transistor dimensions reach atomic levels and established margins are severely constrained. Hence, traditional worst-case analysis becomes impractical, resulting in intolerable performance overheads. Contrarily, process-variation/aging-aware static timing analysis (STA) equips designers with accurate statistical delay distributions. Timing guardbands that are small, yet sufficient, can then be effectively estimated. However, such analysis is costly as it requires intensive Monte-Carlo simulations. Further, it necessitates access to confidential physics-based aging models to generate the standard-cell libraries required for STA. In this work, we employ graph neural networks (GNNs) to accurately estimate the impact of process variations and device aging on the delay of any path within a circuit. Our proposed GNN4REL framework empowers designers to perform rapid and accurate reliability estimations without accessing transistor models, standard-cell libraries, or even STA; these components are all incorporated into the GNN model via training by the foundry. Specifically, GNN4REL is trained on a FinFET technology model that is calibrated against industrial 14nm measurement data. Through our extensive experiments on EPFL and ITC-99 benchmarks, as well as RISC-V processors, we successfully estimate delay degradations of all paths -- notably within seconds -- with a mean absolute error down to 0.01 percentage points.

Bloom filters are widely used data structures that compactly represent sets of elements. Querying a Bloom filter reveals if an element is not included in the underlying set or is included with a certain error rate. This membership testing can be modeled as a binary classification problem and solved through deep learning models, leading to what is called learned Bloom filters. We have identified that the benefits of learned Bloom filters are apparent only when considering a vast amount of data, and even then, there is a possibility to further reduce their memory consumption. For that reason, we introduce a lossless input compression technique that improves the memory consumption of the learned model while preserving a comparable model accuracy. We evaluate our approach and show significant memory consumption improvements over learned Bloom filters.

In electronic health records (EHRs), irregular time-series (ITS) occur naturally due to patient health dynamics, reflected by irregular hospital visits, diseases/conditions and the necessity to measure different vitals signs at each visit etc. ITS present challenges in training machine learning algorithms which mostly are built on assumption of coherent fixed dimensional feature space. In this paper, we propose a novel COntinuous patient state PERceiver model, called COPER, to cope with ITS in EHRs. COPER uses Perceiver model and the concept of neural ordinary differential equations (ODEs) to learn the continuous time dynamics of patient state, i.e., continuity of input space and continuity of output space. The neural ODEs help COPER to generate regular time-series to feed to Perceiver model which has the capability to handle multi-modality large-scale inputs. To evaluate the performance of the proposed model, we use in-hospital mortality prediction task on MIMIC-III dataset and carefully design experiments to study irregularity. The results are compared with the baselines which prove the efficacy of the proposed model.

Graph representation learning aim at integrating node contents with graph structure to learn nodes/graph representations. Nevertheless, it is found that many existing graph learning methods do not work well on data with high heterophily level that accounts for a large proportion of edges between different class labels. Recent efforts to this problem focus on improving the message passing mechanism. However, it remains unclear whether heterophily truly does harm to the performance of graph neural networks (GNNs). The key is to unfold the relationship between a node and its immediate neighbors, e.g., are they heterophilous or homophilious? From this perspective, here we study the role of heterophily in graph representation learning before/after the relationships between connected nodes are disclosed. In particular, we propose an end-to-end framework that both learns the type of edges (i.e., heterophilous/homophilious) and leverage edge type information to improve the expressiveness of graph neural networks. We implement this framework in two different ways. Specifically, to avoid messages passing through heterophilous edges, we can optimize the graph structure to be homophilious by dropping heterophilous edges identified by an edge classifier. Alternatively, it is possible to exploit the information about the presence of heterophilous neighbors for feature learning, so a hybrid message passing approach is devised to aggregate homophilious neighbors and diversify heterophilous neighbors based on edge classification. Extensive experiments demonstrate the remarkable performance improvement of GNNs with the proposed framework on multiple datasets across the full spectrum of homophily level.

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

A magic value in a program is a constant symbol that is essential for the execution of the program but has no clear explanation for its choice. Learning programs with magic values is difficult for existing program synthesis approaches. To overcome this limitation, we introduce an inductive logic programming approach to efficiently learn programs with magic values. Our experiments on diverse domains, including program synthesis, drug design, and game playing, show that our approach can (i) outperform existing approaches in terms of predictive accuracies and learning times, (ii) learn magic values from infinite domains, such as the value of pi, and (iii) scale to domains with millions of constant symbols.

Traffic forecasting is challenging due to dynamic and complicated spatial-temporal dependencies. However, existing methods still suffer from two critical limitations. Firstly, many approaches typically utilize static pre-defined or adaptively learned spatial graphs to capture dynamic spatial-temporal dependencies in the traffic system, which limits the flexibility and only captures shared patterns for the whole time, thus leading to sub-optimal performance. In addition, most approaches individually and independently consider the absolute error between ground truth and predictions at each time step, which fails to maintain the global properties and statistics of time series as a whole and results in trend discrepancy between ground truth and predictions. To this end, in this paper, we propose a Dynamic Adaptive and Adversarial Graph Convolutional Network (DAAGCN), which combines Graph Convolution Networks (GCNs) with Generative Adversarial Networks (GANs) for traffic forecasting. Specifically, DAAGCN leverages a universal paradigm with a gate module to integrate time-varying embeddings with node embeddings to generate dynamic adaptive graphs for inferring spatial-temporal dependencies at each time step. Then, two discriminators are designed to maintain the consistency of the global properties and statistics of predicted time series with ground truth at the sequence and graph levels. Extensive experiments on four benchmark datasets manifest that DAAGCN outperforms the state-of-the-art by average 5.05%, 3.80%, and 5.27%, in terms of MAE, RMSE, and MAPE, meanwhile, speeds up convergence up to 9 times. Code is available at https://github.com/juyongjiang/DAAGCN.

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular time-varying dynamical system, and the use of this matrix as a time-invariant SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.

Long-range time series forecasting is usually based on one of two existing forecasting strategies: Direct Forecasting and Iterative Forecasting, where the former provides low bias, high variance forecasts and the later leads to low variance, high bias forecasts. In this paper, we propose a new forecasting strategy called Generative Forecasting (GenF), which generates synthetic data for the next few time steps and then makes long-range forecasts based on generated and observed data. We theoretically prove that GenF is able to better balance the forecasting variance and bias, leading to a much smaller forecasting error. We implement GenF via three components: (i) a novel conditional Wasserstein Generative Adversarial Network (GAN) based generator for synthetic time series data generation, called CWGAN-TS. (ii) a transformer based predictor, which makes long-range predictions using both generated and observed data. (iii) an information theoretic clustering algorithm to improve the training of both the CWGAN-TS and the transformer based predictor. The experimental results on five public datasets demonstrate that GenF significantly outperforms a diverse range of state-of-the-art benchmarks and classical approaches. Specifically, we find a 5% - 11% improvement in predictive performance (mean absolute error) while having a 15% - 50% reduction in parameters compared to the benchmarks. Lastly, we conduct an ablation study to demonstrate the effectiveness of the components comprising GenF.

Neural vocoder using denoising diffusion probabilistic model (DDPM) has been improved by adaptation of the diffusion noise distribution to given acoustic features. In this study, we propose SpecGrad that adapts the diffusion noise so that its time-varying spectral envelope becomes close to the conditioning log-mel spectrogram. This adaptation by time-varying filtering improves the sound quality especially in the high-frequency bands. It is processed in the time-frequency domain to keep the computational cost almost the same as the conventional DDPM-based neural vocoders. Experimental results showed that SpecGrad generates higher-fidelity speech waveform than conventional DDPM-based neural vocoders in both analysis-synthesis and speech enhancement scenarios. Audio demos are available at wavegrad.github.io/specgrad/.

The intrinsic probabilistic nature of quantum mechanics invokes endeavors of designing quantum generative learning models (QGLMs). Despite the empirical achievements, the foundations and the potential advantages of QGLMs remain largely obscure. To narrow this knowledge gap, here we explore the generalization property of QGLMs, the capability to extend the model from learned to unknown data. We consider two prototypical QGLMs, quantum circuit Born machines and quantum generative adversarial networks, and explicitly give their generalization bounds. The result identifies superiorities of QGLMs over classical methods when quantum devices can directly access the target distribution and quantum kernels are employed. We further employ these generalization bounds to exhibit potential advantages in quantum state preparation and Hamiltonian learning. Numerical results of QGLMs in loading Gaussian distribution and estimating ground states of parameterized Hamiltonians accord with the theoretical analysis. Our work opens the avenue for quantitatively understanding the power of quantum generative learning models.

The requirement to trace and process moving objects in the contemporary era gradually increases since numerous applications quickly demand precise moving object locations. The Map-matching method is employed as a preprocessing technique, which matches a moving object point on a corresponding road. However, most of the GPS trajectory datasets include stay-points irregularity, which makes map-matching algorithms mismatch trajectories to irrelevant streets. Therefore, determining the stay-point region in GPS trajectory datasets results in better accurate matching and more rapid approaches. In this work, we cluster stay-points in a trajectory dataset with DBSCAN and eliminate redundant data to improve the efficiency of the map-matching algorithm by lowering processing time. We reckoned our proposed method's performance and exactness with a ground truth dataset compared to a fuzzy-logic based map-matching algorithm. Fortunately, our approach yields 27.39% data size reduction and 8.9% processing time reduction with the same accurate results as the previous fuzzy-logic based map-matching approach.

We introduce PointConvFormer, a novel building block for point cloud based deep neural network architectures. Inspired by generalization theory, PointConvFormer combines ideas from point convolution, where filter weights are only based on relative position, and Transformers which utilizes feature-based attention. In PointConvFormer, feature difference between points in the neighborhood serves as an indicator to re-weight the convolutional weights. Hence, we preserved the invariances from the point convolution operation whereas attention is used to select relevant points in the neighborhood for convolution. To validate the effectiveness of PointConvFormer, we experiment on both semantic segmentation and scene flow estimation tasks on point clouds with multiple datasets including ScanNet, SemanticKitti, FlyingThings3D and KITTI. Our results show that PointConvFormer substantially outperforms classic convolutions, regular transformers, and voxelized sparse convolution approaches with smaller, more computationally efficient networks. Visualizations show that PointConvFormer performs similarly to convolution on flat surfaces, whereas the neighborhood selection effect is stronger on object boundaries, showing that it got the best of both worlds.

Natural language is one of the most intuitive ways to express human intent. However, translating instructions and commands towards robotic motion generation, and deployment in the real world, is far from being an easy task. Indeed, combining robotic's inherent low-level geometric and kinodynamic constraints with human's high-level semantic information reinvigorates and raises new challenges to the task-design problem -- typically leading to task or hardware specific solutions with a static set of action targets and commands. This work instead proposes a flexible language-based framework that allows to modify generic 3D robotic trajectories using language commands with reduced constraints about prior task or robot information. By taking advantage of pre-trained language models, we employ an auto-regressive transformer to map natural language inputs and contextual images into changes in 3D trajectories. We show through simulations and real-life experiments that the model can successfully follow human intent, modifying the shape and speed of trajectories for multiple robotic platforms and contexts. This study takes a step into building large pre-trained foundational models for robotics and shows how such models can create more intuitive and flexible interactions between human and machines. Codebase available at: https://github.com/arthurfenderbucker/NL_trajectory_reshaper.

The ability of Variational Autoencoders (VAEs) to learn disentangled representations has made them popular for practical applications. However, their behaviour is not yet fully understood. For example, the questions of when they can provide disentangled representations, or suffer from posterior collapse are still areas of active research. Despite this, there are no layerwise comparisons of the representations learned by VAEs, which would further our understanding of these models. In this paper, we thus look into the internal behaviour of VAEs using representational similarity techniques. Specifically, using the CKA and Procrustes similarities, we found that the encoders' representations are learned long before the decoders', and this behaviour is independent of hyperparameters, learning objectives, and datasets. Moreover, the encoders' representations up to the mean and variance layers are similar across hyperparameters and learning objectives.

The combination of Monte Carlo methods and deep learning has recently led to efficient algorithms for solving partial differential equations (PDEs) in high dimensions. Related learning problems are often stated as variational formulations based on associated stochastic differential equations (SDEs), which allow the minimization of corresponding losses using gradient-based optimization methods. In respective numerical implementations it is therefore crucial to rely on adequate gradient estimators that exhibit low variance in order to reach convergence accurately and swiftly. In this article, we rigorously investigate corresponding numerical aspects that appear in the context of linear Kolmogorov PDEs. In particular, we systematically compare existing deep learning approaches and provide theoretical explanations for their performances. Subsequently, we suggest novel methods that can be shown to be more robust both theoretically and numerically, leading to substantial performance improvements.

There is a growing need for sparse representational formats of human affective states that can be utilized in scenarios with limited computational memory resources. We explore whether representing neural data, in response to emotional stimuli, in a latent vector space can serve to both predict emotional states as well as generate synthetic EEG data that are participant- and/or emotion-specific. We propose a conditional variational autoencoder based framework, EEG2Vec, to learn generative-discriminative representations from EEG data. Experimental results on affective EEG recording datasets demonstrate that our model is suitable for unsupervised EEG modeling, classification of three distinct emotion categories (positive, neutral, negative) based on the latent representation achieves a robust performance of 68.49%, and generated synthetic EEG sequences resemble real EEG data inputs to particularly reconstruct low-frequency signal components. Our work advances areas where affective EEG representations can be useful in e.g., generating artificial (labeled) training data or alleviating manual feature extraction, and provide efficiency for memory constrained edge computing applications.

Neural Networks are known to be sensitive to initialisation. The explanation methods that rely on neural networks are not robust since they can have variations in their explanations when the model is initialized and trained with different random seeds. The sensitivity to model initialisation is not desirable in many safety critical applications such as disease diagnosis in healthcare, in which the explainability might have a significant impact in helping decision making. In this work, we introduce a novel method based on parameter averaging for robust explainability in tabular data setting, referred as XTab. We first initialize and train multiple instances of a shallow network (referred as local masks) with different random seeds for a downstream task. We then obtain a global mask model by "averaging the parameters" of local masks and show that the global model uses the majority rule to rank features based on their relative importance across all local models. We conduct extensive experiments on a variety of real and synthetic datasets, demonstrating that the proposed method can be used for feature selection as well as to obtain the global feature importance that are not sensitive to sub-optimal model initialisation.

Estimating forest AGB at large scales and fine spatial resolutions has become increasingly important for greenhouse gas accounting, monitoring, and verification efforts to mitigate climate change. Airborne LiDAR is highly valuable for modeling attributes of forest structure including AGB, yet most LiDAR collections take place at local or regional scales covering irregular, non-contiguous footprints, resulting in a patchwork of different landscape segments at various points in time. Here, as part of a statewide forest carbon assessment for New York State (USA), we addressed common obstacles in leveraging a LiDAR patchwork for AGB mapping at landscape scales, including selection of training data, the investigation of regional or coverage specific patterns in prediction error, and map agreement with field inventory across multiple scales. Three machine learning algorithms and an ensemble model were trained with FIA field measurements, airborne LiDAR, and topographic, climatic and cadastral geodata. Using a strict set of plot selection criteria, 801 FIA plots were selected with co-located point clouds drawn from a patchwork of 17 leaf-off LiDAR coverages (2014-2019). Our ensemble model was used to produce 30 m AGB prediction surfaces within a predictor-defined area of applicability (98% of LiDAR coverage), and the resulting AGB maps were compared with FIA plot-level and areal estimates at multiple scales of aggregation. Our model was overall accurate (% RMSE 22-45%; MAE 11.6-29.4 Mg ha$^{-1}$; ME 2.4-6.3 Mg ha$^{-1}$), explained 73-80% of field-observed variation, and yielded estimates that were consistent with FIA's design-based estimates (89% of estimates within FIA's 95% CI). We share practical solutions to challenges faced in using spatiotemporal patchworks of LiDAR to meet growing needs for AGB mapping in support of applications in forest carbon accounting and ecosystem.

We present a holistic approach to building a robust and useful natural language classification system for real-world content moderation. The success of such a system relies on a chain of carefully designed and executed steps, including the design of content taxonomies and labeling instructions, data quality control, an active learning pipeline to capture rare events, and a variety of methods to make the model robust and to avoid overfitting. Our moderation system is trained to detect a broad set of categories of undesired content, including sexual content, hateful content, violence, self-harm, and harassment. This approach generalizes to a wide range of different content taxonomies and can be used to create high-quality content classifiers that outperform off-the-shelf models.

We examine global non-asymptotic convergence properties of policy gradient methods for multi-agent reinforcement learning (RL) problems in Markov potential games (MPG). To learn a Nash equilibrium of an MPG in which the size of state space and/or the number of players can be very large, we propose new independent policy gradient algorithms that are run by all players in tandem. When there is no uncertainty in the gradient evaluation, we show that our algorithm finds an $\epsilon$-Nash equilibrium with $O(1/\epsilon^2)$ iteration complexity which does not explicitly depend on the state space size. When the exact gradient is not available, we establish $O(1/\epsilon^5)$ sample complexity bound in a potentially infinitely large state space for a sample-based algorithm that utilizes function approximation. Moreover, we identify a class of independent policy gradient algorithms that enjoys convergence for both zero-sum Markov games and Markov cooperative games with the players that are oblivious to the types of games being played. Finally, we provide computational experiments to corroborate the merits and the effectiveness of our theoretical developments.

The automatic early diagnosis of prodromal stages of Alzheimer's disease is of great relevance for patient treatment to improve quality of life. We address this problem as a multi-modal classification task. Multi-modal data provides richer and complementary information. However, existing techniques only consider either lower order relations between the data and single/multi-modal imaging data. In this work, we introduce a novel semi-supervised hypergraph learning framework for Alzheimer's disease diagnosis. Our framework allows for higher-order relations among multi-modal imaging and non-imaging data whilst requiring a tiny labelled set. Firstly, we introduce a dual embedding strategy for constructing a robust hypergraph that preserves the data semantics. We achieve this by enforcing perturbation invariance at the image and graph levels using a contrastive based mechanism. Secondly, we present a dynamically adjusted hypergraph diffusion model, via a semi-explicit flow, to improve the predictive uncertainty. We demonstrate, through our experiments, that our framework is able to outperform current techniques for Alzheimer's disease diagnosis.

Powder-based additive manufacturing has transformed the manufacturing industry over the last decade. In Laser Powder Bed Fusion, a specific part is built in an iterative manner in which two-dimensional cross-sections are formed on top of each other by melting and fusing the proper areas of the powder bed. In this process, the behavior of the melt pool and its thermal field has a very important role in predicting the quality of the manufactured part and its possible defects. However, the simulation of such a complex phenomenon is usually very time-consuming and requires huge computational resources. Flow-3D is one of the software packages capable of executing such simulations using iterative numerical solvers. In this work, we create three datasets of single-trail processes using Flow-3D and use them to train a convolutional neural network capable of predicting the behavior of the three-dimensional thermal field of the melt pool solely by taking three parameters as input: laser power, laser velocity, and time step. The CNN achieves a relative Root Mean Squared Error of 2% to 3% for the temperature field and an average Intersection over Union score of 80% to 90% in predicting the melt pool area. Moreover, since time is included as one of the inputs of the model, the thermal field can be instantly obtained for any arbitrary time step without the need to iterate and compute all the steps

Approximate message passing (AMP) emerges as an effective iterative paradigm for solving high-dimensional statistical problems. However, prior AMP theory -- which focused mostly on high-dimensional asymptotics -- fell short of predicting the AMP dynamics when the number of iterations surpasses $o\big(\frac{\log n}{\log\log n}\big)$ (with $n$ the problem dimension). To address this inadequacy, this paper develops a non-asymptotic framework for understanding AMP in spiked matrix estimation. Built upon new decomposition of AMP updates and controllable residual terms, we lay out an analysis recipe to characterize the finite-sample behavior of AMP in the presence of an independent initialization, which is further generalized to allow for spectral initialization. As two concrete consequences of the proposed analysis recipe: (i) when solving $\mathbb{Z}_2$ synchronization, we predict the behavior of spectrally initialized AMP for up to $O\big(\frac{n}{\mathrm{poly}\log n}\big)$ iterations, showing that the algorithm succeeds without the need of a subsequent refinement stage (as conjectured recently by \citet{celentano2021local}); (ii) we characterize the non-asymptotic behavior of AMP in sparse PCA (in the spiked Wigner model) for a broad range of signal-to-noise ratio.

Position encoding recently has shown effective in the transformer architecture. It enables valuable supervision for dependency modeling between elements at different positions of the sequence. In this paper, we first investigate various methods to integrate positional information into the learning process of transformer-based language models. Then, we propose a novel method named Rotary Position Embedding(RoPE) to effectively leverage the positional information. Specifically, the proposed RoPE encodes the absolute position with a rotation matrix and meanwhile incorporates the explicit relative position dependency in self-attention formulation. Notably, RoPE enables valuable properties, including the flexibility of sequence length, decaying inter-token dependency with increasing relative distances, and the capability of equipping the linear self-attention with relative position encoding. Finally, we evaluate the enhanced transformer with rotary position embedding, also called RoFormer, on various long text classification benchmark datasets. Our experiments show that it consistently overcomes its alternatives. Furthermore, we provide a theoretical analysis to explain some experimental results. RoFormer is already integrated into Huggingface: \url{https://huggingface.co/docs/transformers/model_doc/roformer}.

Continual learning aims to enable a single model to learn a sequence of tasks without catastrophic forgetting. Top-performing methods usually require a rehearsal buffer to store past pristine examples for experience replay, which, however, limits their practical value due to privacy and memory constraints. In this work, we present a simple yet effective framework, DualPrompt, which learns a tiny set of parameters, called prompts, to properly instruct a pre-trained model to learn tasks arriving sequentially without buffering past examples. DualPrompt presents a novel approach to attach complementary prompts to the pre-trained backbone, and then formulates the objective as learning task-invariant and task-specific "instructions". With extensive experimental validation, DualPrompt consistently sets state-of-the-art performance under the challenging class-incremental setting. In particular, DualPrompt outperforms recent advanced continual learning methods with relatively large buffer sizes. We also introduce a more challenging benchmark, Split ImageNet-R, to help generalize rehearsal-free continual learning research. Source code is available at https://github.com/google-research/l2p.

A central goal of sequence modeling is designing a single principled model that can address sequence data across a range of modalities and tasks, particularly on long-range dependencies. Although conventional models including RNNs, CNNs, and Transformers have specialized variants for capturing long dependencies, they still struggle to scale to very long sequences of $10000$ or more steps. A promising recent approach proposed modeling sequences by simulating the fundamental state space model (SSM) \( x'(t) = Ax(t) + Bu(t), y(t) = Cx(t) + Du(t) \), and showed that for appropriate choices of the state matrix \( A \), this system could handle long-range dependencies mathematically and empirically. However, this method has prohibitive computation and memory requirements, rendering it infeasible as a general sequence modeling solution. We propose the Structured State Space sequence model (S4) based on a new parameterization for the SSM, and show that it can be computed much more efficiently than prior approaches while preserving their theoretical strengths. Our technique involves conditioning \( A \) with a low-rank correction, allowing it to be diagonalized stably and reducing the SSM to the well-studied computation of a Cauchy kernel. S4 achieves strong empirical results across a diverse range of established benchmarks, including (i) 91\% accuracy on sequential CIFAR-10 with no data augmentation or auxiliary losses, on par with a larger 2-D ResNet, (ii) substantially closing the gap to Transformers on image and language modeling tasks, while performing generation $60\times$ faster (iii) SoTA on every task from the Long Range Arena benchmark, including solving the challenging Path-X task of length 16k that all prior work fails on, while being as efficient as all competitors.

Generative models operate at fixed resolution, even though natural images come in a variety of sizes. As high-resolution details are downsampled away and low-resolution images are discarded altogether, precious supervision is lost. We argue that every pixel matters and create datasets with variable-size images, collected at their native resolutions. To take advantage of varied-size data, we introduce continuous-scale training, a process that samples patches at random scales to train a new generator with variable output resolutions. First, conditioning the generator on a target scale allows us to generate higher resolution images than previously possible, without adding layers to the model. Second, by conditioning on continuous coordinates, we can sample patches that still obey a consistent global layout, which also allows for scalable training at higher resolutions. Controlled FFHQ experiments show that our method can take advantage of multi-resolution training data better than discrete multi-scale approaches, achieving better FID scores and cleaner high-frequency details. We also train on other natural image domains including churches, mountains, and birds, and demonstrate arbitrary scale synthesis with both coherent global layouts and realistic local details, going beyond 2K resolution in our experiments. Our project page is available at: https://chail.github.io/anyres-gan/.

This paper investigates a family of methods for defending against adversarial attacks that owe part of their success to creating a noisy, discontinuous, or otherwise rugged loss landscape that adversaries find difficult to navigate. A common, but not universal, way to achieve this effect is via the use of stochastic neural networks. We show that this is a form of gradient obfuscation, and propose a general extension to gradient-based adversaries based on the Weierstrass transform, which smooths the surface of the loss function and provides more reliable gradient estimates. We further show that the same principle can strengthen gradient-free adversaries. We demonstrate the efficacy of our loss-smoothing method against both stochastic and non-stochastic adversarial defences that exhibit robustness due to this type of obfuscation. Furthermore, we provide analysis of how it interacts with Expectation over Transformation; a popular gradient-sampling method currently used to attack stochastic defences.

We analyze principal component regression (PCR) in a high-dimensional error-in-variables setting with fixed design. Under suitable conditions, we show that PCR consistently identifies the unique model with minimum $\ell_2$-norm and is near minimax optimal. These results enable us to establish non-asymptotic out-of-sample prediction guarantees that improve upon the best known rates. In our analysis, we introduce a natural linear algebraic condition between the in- and out-of-sample covariates, which allows us to avoid distributional assumptions. Our simulations illustrate the importance of this condition for generalization, even under covariate shifts. As a byproduct, our results also lead to novel results for the synthetic controls literature, a leading approach for policy evaluation. In particular, our minimax results suggest the attractiveness of PCR based methods amongst the numerous variants. To the best of our knowledge, our prediction guarantees for the fixed design setting have been elusive in both the high-dimensional error-in-variables and synthetic controls literatures.

When evaluating quantities of interest that depend on the solutions to differential equations, we inevitably face the trade-off between accuracy and efficiency. Especially for parametrized, time dependent problems in engineering computations, it is often the case that acceptable computational budgets limit the availability of high-fidelity, accurate simulation data. Multi-fidelity surrogate modeling has emerged as an effective strategy to overcome this difficulty. Its key idea is to leverage many low-fidelity simulation data, less accurate but much faster to compute, to improve the approximations with limited high-fidelity data. In this work, we introduce a novel data-driven framework of multi-fidelity surrogate modeling for parametrized, time-dependent problems using long short-term memory (LSTM) networks, to enhance output predictions both for unseen parameter values and forward in time simultaneously - a task known to be particularly challenging for data-driven models. We demonstrate the wide applicability of the proposed approaches in a variety of engineering problems with high- and low-fidelity data generated through fine versus coarse meshes, small versus large time steps, or finite element full-order versus deep learning reduced-order models. Numerical results show that the proposed multi-fidelity LSTM networks not only improve single-fidelity regression significantly, but also outperform the multi-fidelity models based on feed-forward neural networks.

With the increasing adoption of machine learning (ML) models and systems in high-stakes settings across different industries, guaranteeing a model's performance after deployment has become crucial. Monitoring models in production is a critical aspect of ensuring their continued performance and reliability. We present Amazon SageMaker Model Monitor, a fully managed service that continuously monitors the quality of machine learning models hosted on Amazon SageMaker. Our system automatically detects data, concept, bias, and feature attribution drift in models in real-time and provides alerts so that model owners can take corrective actions and thereby maintain high quality models. We describe the key requirements obtained from customers, system design and architecture, and methodology for detecting different types of drift. Further, we provide quantitative evaluations followed by use cases, insights, and lessons learned from more than two years of production deployment.

We develop theory and software for rotation equivariant operators on scalar and vector fields, with diverse applications in simulation, optimization and machine learning. Rotation equivariance (covariance) means all fields in the system rotate together, implying spatially invariant dynamics that preserve symmetry. Extending the convolution theorems of linear time invariant systems, we theorize that linear equivariant operators are characterized by tensor field convolutions using an appropriate product between the input field and a radially symmetric kernel field. Most Green's functions and differential operators are in fact equivariant operators, which can also fit unknown symmetry preserving dynamics by parameterizing the radial function. We implement the Julia package EquivariantOperators.jl for fully differentiable finite difference equivariant operators on scalar, vector and higher order tensor fields in 2d/3d. It can run forwards for simulation or image processing, or be back propagated for computer vision, inverse problems and optimal control. Code at https://aced-differentiate.github.io/EquivariantOperators.jl/

When solving combinatorial problems, pruning symmetric solution candidates from the search space is essential. Most of the existing approaches are instance-specific and focus on the automatic computation of Symmetry Breaking Constraints (SBCs) for each given problem instance. However, the application of such approaches to large-scale instances or advanced problem encodings might be problematic since the computed SBCs are propositional and, therefore, can neither be meaningfully interpreted nor transferred to other instances. As a result, a time-consuming recomputation of SBCs must be done before every invocation of a solver. To overcome these limitations, we introduce a new model-oriented approach for Answer Set Programming that lifts the SBCs of small problem instances into a set of interpretable first-order constraints using a form of machine learning called Inductive Logic Programming. After targeting simple combinatorial problems, we aim to extend our method to be applied also for advanced decision and optimization problems.

It is a highly desirable property for deep networks to be robust against small input changes. One popular way to achieve this property is by designing networks with a small Lipschitz constant. In this work, we propose a new technique for constructing such Lipschitz networks that has a number of desirable properties: it can be applied to any linear network layer (fully-connected or convolutional), it provides formal guarantees on the Lipschitz constant, it is easy to implement and efficient to run, and it can be combined with any training objective and optimization method. In fact, our technique is the first one in the literature that achieves all of these properties simultaneously. Our main contribution is a rescaling-based weight matrix parametrization that guarantees each network layer to have a Lipschitz constant of at most 1 and results in the learned weight matrices to be close to orthogonal. Hence we call such layers almost-orthogonal Lipschitz (AOL). Experiments and ablation studies in the context of image classification with certified robust accuracy confirm that AOL layers achieve results that are on par with most existing methods. Yet, they are simpler to implement and more broadly applicable, because they do not require computationally expensive matrix orthogonalization or inversion steps as part of the network architecture. We provide code at https://github.com/berndprach/AOL.

Decomposing a complex time series into trend, seasonality, and remainder components is an important primitive that facilitates time series anomaly detection, change point detection, and forecasting. Although numerous batch algorithms are known for time series decomposition, none operate well in an online scalable setting where high throughput and real-time response are paramount. In this paper, we propose OnlineSTL, a novel online algorithm for time series decomposition which is highly scalable and is deployed for real-time metrics monitoring on high-resolution, high-ingest rate data. Experiments on different synthetic and real world time series datasets demonstrate that OnlineSTL achieves orders of magnitude speedups (100x) while maintaining quality of decomposition.

Renewable energy resources (RERs) have been increasingly integrated into large-scale distributed power systems. Considering uncertainties and voltage fluctuation issues introduced by RERs, in this paper, we propose a deep reinforcement learning (DRL)-based strategy leveraging spatial-temporal (ST) graphical information of power systems, to dynamically search for the optimal operation, i.e., optimal power flow (OPF), of power systems with a high uptake of RERs. Specifically, we formulate the OPF problem as a multi-objective optimization problem considering generation cost, voltage fluctuation, and transmission loss, and employ deep deterministic policy gradient (DDPG) to learn an optimal allocation strategy for OPF. Moreover, given that the nodes in power systems are self-correlated and interrelated in temporal and spatial views, we develop a multi-grained attention-based spatial-temporal graph convolution network (MG-ASTGCN) for extracting ST graphical correlations and features, aiming to provide prior knowledge of power systems for its sequential DDPG algorithm to more effectively solve OPF. We validate our algorithm on modified IEEE 33, 69, and 118-bus radial distribution systems and demonstrate that our algorithm outperforms other benchmark algorithms. Our experimental results also reveal that our MG-ASTGCN can significantly accelerate DDPG's training process and performance in solving OPF.

We apply a stochastic sequential quadratic programming (StoSQP) algorithm to solve constrained nonlinear optimization problems, where the objective is stochastic and the constraints are deterministic. We study a fully stochastic setup, where only a single sample is available in each iteration for estimating the gradient and Hessian of the objective. We allow StoSQP to select a random stepsize $\bar{\alpha}_t$ adaptively, such that $\beta_t\leq \bar{\alpha}_t \leq \beta_t+\chi_t$, where $\beta_t$, $\chi_t=o(\beta_t)$ are prespecified deterministic sequences. We also allow StoSQP to solve Newton system inexactly via randomized iterative solvers, e.g., with the sketch-and-project method; and we do not require the approximation error of inexact Newton direction to vanish. For this general StoSQP framework, we establish the asymptotic convergence rate for its last iterate, with the worst-case iteration complexity as a byproduct; and we perform statistical inference. In particular, with proper decaying $\beta_t,\chi_t$, we show that: (i) the StoSQP scheme can take at most $O(1/\epsilon^4)$ iterations to achieve $\epsilon$-stationarity; (ii) asymptotically and almost surely, $\|(x_t -x^\star, \lambda_t - \lambda^\star)\| = O(\sqrt{\beta_t\log(1/\beta_t)})+O(\chi_t/\beta_t)$, where $(x_t,\lambda_t)$ is the primal-dual StoSQP iterate; (iii) the sequence $1/\sqrt{\beta_t}\cdot (x_t -x^\star, \lambda_t - \lambda^\star)$ converges to a mean zero Gaussian distribution with a nontrivial covariance matrix. Moreover, we establish the Berry-Esseen bound for $(x_t, \lambda_t)$ to measure quantitatively the convergence of its distribution function. We also provide a practical estimator for the covariance matrix, from which the confidence intervals of $(x^\star, \lambda^\star)$ can be constructed using iterates $\{(x_t,\lambda_t)\}_t$. Our theorems are validated using nonlinear problems in CUTEst test set.

The knowledge gradient (KG) algorithm is a popular and effective algorithm for the best arm identification (BAI) problem. Due to the complex calculation of KG, theoretical analysis of this algorithm is difficult, and existing results are mostly about the asymptotic performance of it, e.g., consistency, asymptotic sample allocation, etc. In this research, we present new theoretical results about the finite-time performance of the KG algorithm. Under independent and normally distributed rewards, we derive bounds for the sample allocation of the algorithm. With these bounds, existing asymptotic results become simple corollaries. Furthermore, we derive upper and lower bounds for the probability of error and simple regret of the algorithm, and show the performance of the algorithm for the multi-armed bandit (MAB) problem. These developments not only extend the existing analysis of the KG algorithm, but can also be used to analyze other improvement-based algorithms. Last, we use numerical experiments to compare the bounds we derive and the performance of the KG algorithm.

In this work, we study policy-based methods for solving the reinforcement learning problem, where off-policy sampling and linear function approximation are employed for policy evaluation, and various policy update rules, including natural policy gradient (NPG), are considered for policy update. To solve the policy evaluation sub-problem in the presence of the deadly triad, we propose a generic algorithm framework of multi-step TD-learning with generalized importance sampling ratios, which includes two specific algorithms: the $\lambda$-averaged $Q$-trace and the two-sided $Q$-trace. The generic algorithm is single time-scale, has provable finite-sample guarantees, and overcomes the high variance issue in off-policy learning. As for the policy update, we provide a universal analysis using only the contraction property and the monotonicity property of the Bellman operator to establish the geometric convergence under various policy update rules. Importantly, by viewing NPG as an approximate way of implementing policy iteration, we establish the geometric convergence of NPG without introducing regularization, and without using mirror descent type of analysis as in existing literature. Combining the geometric convergence of the policy update with the finite-sample analysis of the policy evaluation, we establish for the first time an overall $\mathcal{O}(\epsilon^{-2})$ sample complexity for finding an optimal policy (up to a function approximation error) using policy-based methods under off-policy sampling and linear function approximation.

Language model pre-training and derived methods are incredibly impactful in machine learning. However, there remains considerable uncertainty on exactly why pre-training helps improve performance for fine-tuning tasks. This is especially true when attempting to adapt language-model pre-training to domains outside of natural language. Here, we analyze this problem by exploring how existing pre-training methods impose relational structure in their induced per-sample latent spaces -- i.e., what constraints do pre-training methods impose on the distance or geometry between the pre-trained embeddings of two samples $\vec x_i$ and $\vec x_j$. Through a comprehensive review of existing pre-training methods, we find that this question remains open. This is true despite theoretical analyses demonstrating the importance of understanding this form of induced structure. Based on this review, we introduce a descriptive framework for pre-training that allows for a granular, comprehensive understanding of how relational structure can be induced. We present a theoretical analysis of this framework from first principles and establish a connection between the relational inductive bias of pre-training and fine-tuning performance. We also show how to use the framework to define new pre-training methods. We build upon these findings with empirical studies on benchmarks spanning 3 data modalities and ten fine-tuning tasks. These experiments validate our theoretical analyses, inform the design of novel pre-training methods, and establish consistent improvements over a compelling suite of baseline methods.

Optimizing multiple, non-preferential objectives for mixed-variable, expensive black-box problems is important in many areas of engineering and science. The expensive, noisy, black-box nature of these problems makes them ideal candidates for Bayesian optimization (BO). Mixed-variable and multi-objective problems, however, are a challenge due to BO's underlying smooth Gaussian process surrogate model. Current multi-objective BO algorithms cannot deal with mixed-variable problems. We present MixMOBO, the first mixed-variable, multi-objective Bayesian optimization framework for such problems. Using MixMOBO, optimal Pareto-fronts for multi-objective, mixed-variable design spaces can be found efficiently while ensuring diverse solutions. The method is sufficiently flexible to incorporate different kernels and acquisition functions, including those that were developed for mixed-variable or multi-objective problems by other authors. We also present HedgeMO, a modified Hedge strategy that uses a portfolio of acquisition functions for multi-objective problems. We present a new acquisition function, SMC. Our results show that MixMOBO performs well against other mixed-variable algorithms on synthetic problems. We apply MixMOBO to the real-world design of an architected material and show that our optimal design, which was experimentally fabricated and validated, has a normalized strain energy density $10^4$ times greater than existing structures.

Most continual learning methods are validated in settings where task boundaries are clearly defined and task identity information is available during training and testing. We explore how such methods perform in a task-agnostic setting that more closely resembles dynamic clinical environments with gradual population shifts. We propose ODEx, a holistic solution that combines out-of-distribution detection with continual learning techniques. Validation on two scenarios of hippocampus segmentation shows that our proposed method reliably maintains performance on earlier tasks without losing plasticity.

Expected risk minimization (ERM) is at the core of machine learning systems. This means that the risk inherent in a loss distribution is summarized using a single number - its average. In this paper, we propose a general approach to construct risk measures which exhibit a desired tail sensitivity and may replace the expectation operator in ERM. Our method relies on the specification of a reference distribution with a desired tail behaviour, which is in a one-to-one correspondence to a coherent upper probability. Any risk measure, which is compatible with this upper probability, displays a tail sensitivity which is finely tuned to the reference distribution. As a concrete example, we focus on divergence risk measures based on f-divergence ambiguity sets, which are a widespread tool used to foster distributional robustness of machine learning systems. For instance, we show how ambiguity sets based on the Kullback-Leibler divergence are intricately tied to the class of subexponential random variables. We elaborate the connection of divergence risk measures and rearrangement invariant Banach norms.

A large class of non-smooth practical optimization problems can be written as minimization of a sum of smooth and partly smooth functions. We consider such structured problems which also depend on a parameter vector and study the problem of differentiating its solution mapping with respect to the parameter which has far reaching applications in sensitivity analysis and parameter learning optmization problems. We show that under partial smoothness and other mild assumptions, Automatic Differentiation (AD) of the sequence generated by proximal splitting algorithms converges to the derivative of the solution mapping. For a variant of automatic differentiation, which we call Fixed-Point Automatic Differentiation (FPAD), we remedy the memory overhead problem of the Reverse Mode AD and moreover provide faster convergence theoretically. We numerically illustrate the convergence and convergence rates of AD and FPAD on Lasso and Group Lasso problems and demonstrate the working of FPAD on prototypical practical image denoising problem by learning the regularization term.

Facial emotional recognition is one of the essential tools used by recognition psychology to diagnose patients. Face and facial emotional recognition are areas where machine learning is excelling. Facial Emotion Recognition in an unconstrained environment is an open challenge for digital image processing due to different environments, such as lighting conditions, pose variation, yaw motion, and occlusions. Deep learning approaches have shown significant improvements in image recognition. However, accuracy and time still need improvements. This research aims to improve facial emotion recognition accuracy during the training session and reduce processing time using a modified Convolution Neural Network Enhanced with Extreme Learning Machine (CNNEELM). The system entails (CNNEELM) improving the accuracy in image registration during the training session. Furthermore, the system recognizes six facial emotions happy, sad, disgust, fear, surprise, and neutral with the proposed CNNEELM model. The study shows that the overall facial emotion recognition accuracy is improved by 2% than the state of art solutions with a modified Stochastic Gradient Descent (SGD) technique. With the Extreme Learning Machine (ELM) classifier, the processing time is brought down to 65ms from 113ms, which can smoothly classify each frame from a video clip at 20fps. With the pre-trained InceptionV3 model, the proposed CNNEELM model is trained with JAFFE, CK+, and FER2013 expression datasets. The simulation results show significant improvements in accuracy and processing time, making the model suitable for the video analysis process. Besides, the study solves the issue of the large processing time required to process the facial images.

Graph autoencoders are efficient at embedding graph-based data sets. Most graph autoencoder architectures have shallow depths which limits their ability to capture meaningful relations between nodes separated by multi-hops. In this paper, we propose Residual Variational Graph Autoencoder, ResVGAE, a deep variational graph autoencoder model with multiple residual modules. We show that our multiple residual modules, a convolutional layer with residual connection, improve the average precision of the graph autoencoders. Experimental results suggest that our proposed model with residual modules outperforms the models without residual modules and achieves similar results when compared with other state-of-the-art methods.

Anomaly detection (AD), separating anomalies from normal data, has many applications across domains, from security to healthcare. While most previous works were shown to be effective for cases with fully or partially labeled data, that setting is in practice less common due to labeling being particularly tedious for this task. In this paper, we focus on fully unsupervised AD, in which the entire training dataset, containing both normal and anomalous samples, is unlabeled. To tackle this problem effectively, we propose to improve the robustness of one-class classification trained on self-supervised representations using a data refinement process. Our proposed data refinement approach is based on an ensemble of one-class classifiers (OCCs), each of which is trained on a disjoint subset of training data. Representations learned by self-supervised learning on the refined data are iteratively updated as the data refinement improves. We demonstrate our method on various unsupervised AD tasks with image and tabular data. With a 10% anomaly ratio on CIFAR-10 image data / 2.5% anomaly ratio on Thyroid tabular data, the proposed method outperforms the state-of-the-art one-class classifier by 6.3 AUC and 12.5 average precision / 22.9 F1-score.

Reinforcement learning (RL) has been applied to attack graphs for penetration testing, however, trained agents do not reflect reality because the attack graphs lack operational nuances typically captured within the intelligence preparation of the battlefield (IPB) that include notions of (cyber) terrain. In particular, current practice constructs attack graphs exclusively using the Common Vulnerability Scoring System (CVSS) and its components. We present methods for constructing attack graphs using notions from IPB on cyber terrain analysis of obstacles, avenues of approach, key terrain, observation and fields of fire, and cover and concealment. We demonstrate our methods on an example where firewalls are treated as obstacles and represented in (1) the reward space and (2) the state dynamics. We show that terrain analysis can be used to bring realism to attack graphs for RL.

Motivated by practical needs of experimentation and policy learning in online platforms, we study the problem of safe data collection. Specifically, our goal is to develop a logging policy that efficiently explores different actions to elicit information while achieving competitive reward with a baseline production policy. We first show that a common practice of mixing the production policy with randomized exploration, despite being safe, is sub-optimal in maximizing information gain. Then, we propose a safe optimal logging policy via a novel water-filling technique for the case when no side information about the actions' expected reward is available. We improve upon this design by considering side information and also extend our approaches to the linear contextual model to account for a large number of actions. Along the way, we analyze how our data logging policies impact errors in off(line)-policy learning and empirically validate the benefit of our design by conducting extensive numerical experiments with synthetic and MNIST datasets. To further demonstrate the generality of our approach, we also consider the safe online learning setting. By adaptively applying our techniques, we develop the Safe Phased-Elimination (SafePE) algorithm that can achieve optimal regret bound with only logarithmic number of policy updates.

Recent studies have shown that Deep Neural Networks (DNNs) are vulnerable to the backdoor attacks, which leads to malicious behaviors of DNNs when specific triggers are attached to the input images. It was further demonstrated that the infected DNNs possess a collection of channels, which are more sensitive to the backdoor triggers compared with normal channels. Pruning these channels was then shown to be effective in mitigating the backdoor behaviors. To locate those channels, it is natural to consider their Lipschitzness, which measures their sensitivity against worst-case perturbations on the inputs. In this work, we introduce a novel concept called Channel Lipschitz Constant (CLC), which is defined as the Lipschitz constant of the mapping from the input images to the output of each channel. Then we provide empirical evidences to show the strong correlation between an Upper bound of the CLC (UCLC) and the trigger-activated change on the channel activation. Since UCLC can be directly calculated from the weight matrices, we can detect the potential backdoor channels in a data-free manner, and do simple pruning on the infected DNN to repair the model. The proposed Channel Lipschitzness based Pruning (CLP) method is super fast, simple, data-free and robust to the choice of the pruning threshold. Extensive experiments are conducted to evaluate the efficiency and effectiveness of CLP, which achieves state-of-the-art results among the mainstream defense methods even without any data. Source codes are available at https://github.com/rkteddy/channel-Lipschitzness-based-pruning.

Estimating uncertainty is at the core of performing scientific measurements in HEP: a measurement is not useful without an estimate of its uncertainty. The goal of uncertainty quantification (UQ) is inextricably linked to the question, "how do we physically and statistically interpret these uncertainties?" The answer to this question depends not only on the computational task we aim to undertake, but also on the methods we use for that task. For artificial intelligence (AI) applications in HEP, there are several areas where interpretable methods for UQ are essential, including inference, simulation, and control/decision-making. There exist some methods for each of these areas, but they have not yet been demonstrated to be as trustworthy as more traditional approaches currently employed in physics (e.g., non-AI frequentist and Bayesian methods). Shedding light on the questions above requires additional understanding of the interplay of AI systems and uncertainty quantification. We briefly discuss the existing methods in each area and relate them to tasks across HEP. We then discuss recommendations for avenues to pursue to develop the necessary techniques for reliable widespread usage of AI with UQ over the next decade.

This paper proposes a novel approach that enables a robot to learn an objective function incrementally from human directional corrections. Existing methods learn from human magnitude corrections; since a human needs to carefully choose the magnitude of each correction, those methods can easily lead to over-corrections and learning inefficiency. The proposed method only requires human directional corrections -- corrections that only indicate the direction of an input change without indicating its magnitude. We only assume that each correction, regardless of its magnitude, points in a direction that improves the robot's current motion relative to an unknown objective function. The allowable corrections satisfying this assumption account for half of the input space, as opposed to the magnitude corrections which have to lie in a shrinking level set. For each directional correction, the proposed method updates the estimate of the objective function based on a cutting plane method, which has a geometric interpretation. We have established theoretical results to show the convergence of the learning process. The proposed method has been tested in numerical examples, a user study on two human-robot games, and a real-world quadrotor experiment. The results confirm the convergence of the proposed method and further show that the method is significantly more effective (higher success rate), efficient/effortless (less human corrections needed), and potentially more accessible (fewer early wasted trials) than the state-of-the-art robot learning frameworks.

We introduce Cohort Comfort Models, a new framework for predicting how new occupants would perceive their thermal environment. Cohort Comfort Models leverage historical data collected from a sample population, who have some underlying preference similarity, to predict thermal preference responses of new occupants. Our framework is capable of exploiting available background information such as physical characteristics and one-time on-boarding surveys (satisfaction with life scale, highly sensitive person scale, the Big Five personality traits) from the new occupant as well as physiological and environmental sensor measurements paired with thermal preference responses. We implemented our framework in two publicly available datasets containing longitudinal data from 55 people, comprising more than 6,000 individual thermal comfort surveys. We observed that, a Cohort Comfort Model that uses background information provided very little change in thermal preference prediction performance but uses none historical data. On the other hand, for half and one third of each dataset occupant population, using Cohort Comfort Models, with less historical data from target occupants, Cohort Comfort Models increased their thermal preference prediction by 8~\% and 5~\% on average, and up to 36~\% and 46~\% for some occupants, when compared to general-purpose models trained on the whole population of occupants. The framework is presented in a data and site agnostic manner, with its different components easily tailored to the data availability of the occupants and the buildings. Cohort Comfort Models can be an important step towards personalization without the need of developing a personalized model for each new occupant.

Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the computational cost of DDD simulations remains a bottleneck that limits its range of applicability. Here, we introduce a new DDD-GNN framework in which the expensive time-integration of dislocation motion is entirely substituted by a graph neural network (GNN) model trained on DDD trajectories. As a first application, we demonstrate the feasibility and potential of our method on a simple yet relevant model of a dislocation line gliding through a forest of obstacles. We show that the DDD-GNN model is stable and reproduces very well unseen ground-truth DDD simulation responses for a range of straining rates and obstacle densities, without the need to explicitly compute nodal forces or dislocation mobilities during time-integration. Our approach opens new promising avenues to accelerate DDD simulations and to incorporate more complex dislocation motion behaviors.

Data poisoning considers an adversary that distorts the training set of machine learning algorithms for malicious purposes. In this work, we bring to light one conjecture regarding the fundamentals of data poisoning, which we call the Lethal Dose Conjecture. The conjecture states: If $n$ clean training samples are needed for accurate predictions, then in a size-$N$ training set, only $\Theta(N/n)$ poisoned samples can be tolerated while ensuring accuracy. Theoretically, we verify this conjecture in multiple cases. We also offer a more general perspective of this conjecture through distribution discrimination. Deep Partition Aggregation (DPA) and its extension, Finite Aggregation (FA) are recent approaches for provable defenses against data poisoning, where they predict through the majority vote of many base models trained from different subsets of training set using a given learner. The conjecture implies that both DPA and FA are (asymptotically) optimal -- if we have the most data-efficient learner, they can turn it into one of the most robust defenses against data poisoning. This outlines a practical approach to developing stronger defenses against poisoning via finding data-efficient learners. Empirically, as a proof of concept, we show that by simply using different data augmentations for base learners, we can respectively double and triple the certified robustness of DPA on CIFAR-10 and GTSRB without sacrificing accuracy.

One of the core challenges facing the medical image computing community is fast and efficient data sample labeling. Obtaining fine-grained labels for segmentation is particularly demanding since it is expensive, time-consuming, and requires sophisticated tools. On the contrary, applying bounding boxes is fast and takes significantly less time than fine-grained labeling, but does not produce detailed results. In response, we propose a novel framework for weakly-supervised tasks with the rapid and robust transformation of bounding boxes into segmentation masks without training any machine learning model, coined BoxShrink. The proposed framework comes in two variants - rapid-BoxShrink for fast label transformations, and robust-BoxShrink for more precise label transformations. An average of four percent improvement in IoU is found across several models when being trained using BoxShrink in a weakly-supervised setting, compared to using only bounding box annotations as inputs on a colonoscopy image data set. We open-sourced the code for the proposed framework and published it online.

Automatic segmentation of ground glass opacities and consolidations in chest computer tomography (CT) scans can potentially ease the burden of radiologists during times of high resource utilisation. However, deep learning models are not trusted in the clinical routine due to failing silently on out-of-distribution (OOD) data. We propose a lightweight OOD detection method that leverages the Mahalanobis distance in the feature space and seamlessly integrates into state-of-the-art segmentation pipelines. The simple approach can even augment pre-trained models with clinically relevant uncertainty quantification. We validate our method across four chest CT distribution shifts and two magnetic resonance imaging applications, namely segmentation of the hippocampus and the prostate. Our results show that the proposed method effectively detects far- and near-OOD samples across all explored scenarios.

In the era of deep learning, loss functions determine the range of tasks available to models and algorithms. To support the application of deep learning in multi-label classification (MLC) tasks, we propose the ZLPR (zero-bounded log-sum-exp \& pairwise rank-based) loss in this paper. Compared to other rank-based losses for MLC, ZLPR can handel problems that the number of target labels is uncertain, which, in this point of view, makes it equally capable with the other two strategies often used in MLC, namely the binary relevance (BR) and the label powerset (LP). Additionally, ZLPR takes the corelation between labels into consideration, which makes it more comprehensive than the BR methods. In terms of computational complexity, ZLPR can compete with the BR methods because its prediction is also label-independent, which makes it take less time and memory than the LP methods. Our experiments demonstrate the effectiveness of ZLPR on multiple benchmark datasets and multiple evaluation metrics. Moreover, we propose the soft version and the corresponding KL-divergency calculation method of ZLPR, which makes it possible to apply some regularization tricks such as label smoothing to enhance the generalization of models.

Here, we report a case study implementation of reinforcement learning (RL) to automate operations in the scanning transmission electron microscopy (STEM) workflow. To do so, we design a virtual, prototypical RL environment to test and develop a network to autonomously align the electron beam without prior knowledge. Using this simulator, we evaluate the impact of environment design and algorithm hyperparameters on alignment accuracy and learning convergence, showing robust convergence across a wide hyperparameter space. Additionally, we deploy a successful model on the microscope to validate the approach and demonstrate the value of designing appropriate virtual environments. Consistent with simulated results, the on-microscope RL model achieves convergence to the goal alignment after minimal training. Overall, the results highlight that by taking advantage of RL, microscope operations can be automated without the need for extensive algorithm design, taking another step towards augmenting electron microscopy with machine learning methods.

Non-autoregressive text to speech (TTS) models such as FastSpeech can synthesize speech significantly faster than previous autoregressive models with comparable quality. The training of FastSpeech model relies on an autoregressive teacher model for duration prediction (to provide more information as input) and knowledge distillation (to simplify the data distribution in output), which can ease the one-to-many mapping problem (i.e., multiple speech variations correspond to the same text) in TTS. However, FastSpeech has several disadvantages: 1) the teacher-student distillation pipeline is complicated and time-consuming, 2) the duration extracted from the teacher model is not accurate enough, and the target mel-spectrograms distilled from teacher model suffer from information loss due to data simplification, both of which limit the voice quality. In this paper, we propose FastSpeech 2, which addresses the issues in FastSpeech and better solves the one-to-many mapping problem in TTS by 1) directly training the model with ground-truth target instead of the simplified output from teacher, and 2) introducing more variation information of speech (e.g., pitch, energy and more accurate duration) as conditional inputs. Specifically, we extract duration, pitch and energy from speech waveform and directly take them as conditional inputs in training and use predicted values in inference. We further design FastSpeech 2s, which is the first attempt to directly generate speech waveform from text in parallel, enjoying the benefit of fully end-to-end inference. Experimental results show that 1) FastSpeech 2 achieves a 3x training speed-up over FastSpeech, and FastSpeech 2s enjoys even faster inference speed; 2) FastSpeech 2 and 2s outperform FastSpeech in voice quality, and FastSpeech 2 can even surpass autoregressive models. Audio samples are available at https://speechresearch.github.io/fastspeech2/.

Graphs are present in many real-world applications, such as financial fraud detection, commercial recommendation, and social network analysis. But given the high cost of graph annotation or labeling, we face a severe graph label-scarcity problem, i.e., a graph might have a few labeled nodes. One example of such a problem is the so-called \textit{few-shot node classification}. A predominant approach to this problem resorts to \textit{episodic meta-learning}. In this work, we challenge the status quo by asking a fundamental question whether meta-learning is a must for few-shot node classification tasks. We propose a new and simple framework under the standard few-shot node classification setting as an alternative to meta-learning to learn an effective graph encoder. The framework consists of supervised graph contrastive learning with novel mechanisms for data augmentation, subgraph encoding, and multi-scale contrast on graphs. Extensive experiments on three benchmark datasets (CoraFull, Reddit, Ogbn) show that the new framework significantly outperforms state-of-the-art meta-learning based methods.

Federated learning (FL) has been recognized as one of the most promising solutions for distributed machine learning (ML). In most of the current literature, FL has been studied for supervised ML tasks, in which edge devices collect labeled data. Nevertheless, in many applications, it is impractical to assume existence of labeled data across devices. To this end, we develop a novel methodology, Cooperative Federated unsupervised Contrastive Learning (CF-CL), for FL across edge devices with unlabeled datasets. CF-CL employs local device cooperation where data are exchanged among devices through device-to-device (D2D) communications to avoid local model bias resulting from non-independent and identically distributed (non-i.i.d.) local datasets. CF-CL introduces a push-pull smart data sharing mechanism tailored to unsupervised FL settings, in which, each device pushes a subset of its local datapoints to its neighbors as reserved data points, and pulls a set of datapoints from its neighbors, sampled through a probabilistic importance sampling technique. We demonstrate that CF-CL leads to (i) alignment of unsupervised learned latent spaces across devices, (ii) faster global convergence, allowing for less frequent global model aggregations; and (iii) is effective in extreme non-i.i.d. data settings across the devices.

The volume contains selected contributions from the Machine Learning Challenge "Discover the Mysteries of the Maya", presented at the Discovery Challenge Track of The European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases (ECML PKDD 2021). Remote sensing has greatly accelerated traditional archaeological landscape surveys in the forested regions of the ancient Maya. Typical exploration and discovery attempts, beside focusing on whole ancient cities, focus also on individual buildings and structures. Recently, there have been several successful attempts of utilizing machine learning for identifying ancient Maya settlements. These attempts, while relevant, focus on narrow areas and rely on high-quality aerial laser scanning (ALS) data which covers only a fraction of the region where ancient Maya were once settled. Satellite image data, on the other hand, produced by the European Space Agency's (ESA) Sentinel missions, is abundant and, more importantly, publicly available. The "Discover the Mysteries of the Maya" challenge aimed at locating and identifying ancient Maya architectures (buildings, aguadas, and platforms) by performing integrated image segmentation of different types of satellite imagery (from Sentinel-1 and Sentinel-2) data and ALS (lidar) data.

A simple and natural algorithm for reinforcement learning (RL) is Monte Carlo Exploring Starts (MCES), where the Q-function is estimated by averaging the Monte Carlo returns, and the policy is improved by choosing actions that maximize the current estimate of the Q-function. Exploration is performed by "exploring starts", that is, each episode begins with a randomly chosen state and action, and then follows the current policy to the terminal state. In the classic book on RL by Sutton & Barto (2018), it is stated that establishing convergence for the MCES algorithm is one of the most important remaining open theoretical problems in RL. However, the convergence question for MCES turns out to be quite nuanced. Bertsekas & Tsitsiklis (1996) provide a counter-example showing that the MCES algorithm does not necessarily converge. Tsitsiklis (2002) further shows that if the original MCES algorithm is modified so that the Q-function estimates are updated at the same rate for all state-action pairs, and the discount factor is strictly less than one, then the MCES algorithm converges. In this paper we make headway with the original and more efficient MCES algorithm given in Sutton & Barto (1998), establishing almost sure convergence for Optimal Policy Feed-Forward MDPs, which are MDPs whose states are not revisited within any episode when using an optimal policy. Such MDPs include a large class of environments such as all deterministic environments and all episodic environments with a timestep or any monotonically changing values as part of the state. Different from the previous proofs using stochastic approximations, we introduce a novel inductive approach, which is very simple and only makes use of the strong law of large numbers.

Recent advances in the fingerprinting of deep neural networks detect instances of models, placed in a black-box interaction scheme. Inputs used by the fingerprinting protocols are specifically crafted for each precise model to be checked for. While efficient in such a scenario, this nevertheless results in a lack of guarantee after a mere modification (like retraining, quantization) of a model. This paper tackles the challenges to propose i) fingerprinting schemes that are resilient to significant modifications of the models, by generalizing to the notion of model families and their variants, ii) an extension of the fingerprinting task encompassing scenarios where one wants to fingerprint not only a precise model (previously referred to as a detection task) but also to identify which model family is in the black-box (identification task). We achieve both goals by demonstrating that benign inputs, that are unmodified images, for instance, are sufficient material for both tasks. We leverage an information-theoretic scheme for the identification task. We devise a greedy discrimination algorithm for the detection task. Both approaches are experimentally validated over an unprecedented set of more than 1,000 networks.

In this paper we explore cyber security defence, through the unification of a novel cyber security simulator with models for (causal) decision-making through optimisation. Particular attention is paid to a recently published approach: dynamic causal Bayesian optimisation (DCBO). We propose that DCBO can act as a blue agent when provided with a view of a simulated network and a causal model of how a red agent spreads within that network. To investigate how DCBO can perform optimal interventions on host nodes, in order to reduce the cost of intrusions caused by the red agent. Through this we demonstrate a complete cyber-simulation system, which we use to generate observational data for DCBO and provide numerical quantitative results which lay the foundations for future work in this space.

We consider the setting where a master wants to run a distributed stochastic gradient descent (SGD) algorithm on $n$ workers, each having a subset of the data. Distributed SGD may suffer from the effect of stragglers, i.e., slow or unresponsive workers who cause delays. One solution studied in the literature is to wait at each iteration for the responses of the fastest $k<n$ workers before updating the model, where $k$ is a fixed parameter. The choice of the value of $k$ presents a trade-off between the runtime (i.e., convergence rate) of SGD and the error of the model. Towards optimizing the error-runtime trade-off, we investigate distributed SGD with adaptive~$k$, i.e., varying $k$ throughout the runtime of the algorithm. We first design an adaptive policy for varying $k$ that optimizes this trade-off based on an upper bound on the error as a function of the wall-clock time that we derive. Then, we propose and implement an algorithm for adaptive distributed SGD that is based on a statistical heuristic. Our results show that the adaptive version of distributed SGD can reach lower error values in less time compared to non-adaptive implementations. Moreover, the results also show that the adaptive version is communication-efficient, where the amount of communication required between the master and the workers is less than that of non-adaptive versions.

Why do networks have negative weights at all? The answer is: to learn more functions. We mathematically prove that deep neural networks with all non-negative weights are not universal approximators. This fundamental result is assumed by much of the deep learning literature without previously proving the result and demonstrating its necessity.

Imbalanced data pose challenges for deep learning based classification models. One of the most widely-used approaches for tackling imbalanced data is re-weighting, where training samples are associated with different weights in the loss function. Most of existing re-weighting approaches treat the example weights as the learnable parameter and optimize the weights on the meta set, entailing expensive bilevel optimization. In this paper, we propose a novel re-weighting method based on optimal transport (OT) from a distributional point of view. Specifically, we view the training set as an imbalanced distribution over its samples, which is transported by OT to a balanced distribution obtained from the meta set. The weights of the training samples are the probability mass of the imbalanced distribution and learned by minimizing the OT distance between the two distributions. Compared with existing methods, our proposed one disengages the dependence of the weight learning on the concerned classifier at each iteration. Experiments on image, text and point cloud datasets demonstrate that our proposed re-weighting method has excellent performance, achieving state-of-the-art results in many cases and providing a promising tool for addressing the imbalanced classification issue.

Deep neural networks (DNNs) have proven successful in a wide variety of applications such as speech recognition and synthesis, computer vision, machine translation, and game playing, to name but a few. However, existing deep neural network models are computationally expensive and memory intensive, hindering their deployment in devices with low memory resources or in applications with strict latency requirements. Therefore, a natural thought is to perform model compression and acceleration in deep networks without significantly decreasing the model performance, which is what we call reducing the complexity. In the following work, we try reducing the complexity of state of the art LSTM models for natural language tasks such as text classification, by distilling their knowledge to CNN based models, thus reducing the inference time(or latency) during testing.

The purpose of this paper is to compare different learnable frontends in medical acoustics tasks. A framework has been implemented to classify human respiratory sounds and heartbeats in two categories, i.e. healthy or affected by pathologies. After obtaining two suitable datasets, we proceeded to classify the sounds using two learnable state-of-art frontends -- LEAF and nnAudio -- plus a non-learnable baseline frontend, i.e. Mel-filterbanks. The computed features are then fed into two different CNN models, namely VGG16 and EfficientNet. The frontends are carefully benchmarked in terms of the number of parameters, computational resources, and effectiveness. This work demonstrates how the integration of learnable frontends in neural audio classification systems may improve performance, especially in the field of medical acoustics. However, the usage of such frameworks makes the needed amount of data even larger. Consequently, they are useful if the amount of data available for training is adequately large to assist the feature learning process.  ( 2 min )

When using machine learning techniques in decision-making processes, the interpretability of the models is important. Shapley additive explanation (SHAP) is one of the most promising interpretation methods for machine learning models. Interaction effects occur when the effect of one variable depends on the value of another variable. Even if each variable has little effect on the outcome, its combination can have an unexpectedly large impact on the outcome. Understanding interactions is important for understanding machine learning models; however, naive SHAP analysis cannot distinguish between the main effect and interaction effects. In this paper, we introduce the Shapley-Taylor index as an interpretation method for machine learning models using SHAP considering interaction effects. We apply the method to the cancer cohort data of Kyushu University Hospital (N=29,080) to analyze what combination of factors contributes to the risk of colon cancer.

In recent years, researchers have created and introduced a significant number of various code generation models. As human evaluation of every new model version is unfeasible, the community adopted automatic evaluation metrics such as BLEU to approximate the results of human judgement. These metrics originate from the machine translation domain and it is unclear whether they are applicable for the code generation tasks and how well do they agree with the human evaluation on this task. There also are two metrics, CodeBLEU and RUBY, that were developed to estimate the similarity of code and take into account the code properties. However, for these metrics there are hardly any studies on their agreement with the human evaluation. Despite all that, minimal differences in the metric scores are used to claim superiority of some code generation models over the others. In this paper, we present a study on applicability of six metrics -- BLEU, ROUGE-L, METEOR, ChrF, CodeBLEU, RUBY -- for evaluation of the code generation models. We conduct a study on two different code generation datasets and use human annotators to assess the quality of all models run on these datasets. The results indicate that for the CoNaLa dataset of Python one-liners none of the metrics can correctly emulate human judgement on which model is better with $>95\%$ certainty if the difference in model scores is less than 5 points. For the HearthStone dataset, which consists of classes of particular structure, the difference in model scores of at least 2 points is enough to claim the superiority of one model over the other. Using our findings, we derive several recommendations on using metrics to estimate the model performance on the code generation task.

In this paper, we provide an extension of confidence sequences for settings where the variance of the data-generating distribution does not exist or is infinite. Confidence sequences furnish confidence intervals that are valid at arbitrary data-dependent stopping times, naturally having a wide range of applications. We first establish a lower bound for the width of the Catoni-style confidence sequences for the finite variance case to highlight the looseness of the existing results. Next, we derive tight Catoni-style confidence sequences for data distributions having a relaxed bounded~$p^{th}-$moment, where~$p \in (1,2]$, and strengthen the results for the finite variance case of~$p =2$. The derived results are shown to better than confidence sequences obtained using Dubins-Savage inequality.

Named entity recognition (NER) task aims at identifying entities from a piece of text that belong to predefined semantic types such as person, location, organization, etc. The state-of-the-art solutions for flat entities NER commonly suffer from capturing the fine-grained semantic information in underlying texts. The existing span-based approaches overcome this limitation, but the computation time is still a concern. In this work, we propose a novel span-based NER framework, namely Global Pointer (GP), that leverages the relative positions through a multiplicative attention mechanism. The ultimate goal is to enable a global view that considers the beginning and the end positions to predict the entity. To this end, we design two modules to identify the head and the tail of a given entity to enable the inconsistency between the training and inference processes. Moreover, we introduce a novel classification loss function to address the imbalance label problem. In terms of parameters, we introduce a simple but effective approximate method to reduce the training parameters. We extensively evaluate GP on various benchmark datasets. Our extensive experiments demonstrate that GP can outperform the existing solution. Moreover, the experimental results show the efficacy of the introduced loss function compared to softmax and entropy alternatives.  ( 3 min )

Demand estimation plays an important role in dynamic pricing where the optimal price can be obtained via maximizing the revenue based on the demand curve. In online hotel booking platform, the demand or occupancy of rooms varies across room-types and changes over time, and thus it is challenging to get an accurate occupancy estimate. In this paper, we propose a novel hotel demand function that explicitly models the price elasticity of demand for occupancy prediction, and design a price elasticity prediction model to learn the dynamic price elasticity coefficient from a variety of affecting factors. Our model is composed of carefully designed elasticity learning modules to alleviate the endogeneity problem, and trained in a multi-task framework to tackle the data sparseness. We conduct comprehensive experiments on real-world datasets and validate the superiority of our method over the state-of-the-art baselines for both occupancy prediction and dynamic pricing.  ( 2 min )

We prove computational limitations for learning with neural networks trained by noisy gradient descent (GD). Our result applies whenever GD training is equivariant (true for many standard architectures), and quantifies the alignment needed between architectures and data in order for GD to learn. As applications, (i) we characterize the functions that fully-connected networks can weak-learn on the binary hypercube and unit sphere, demonstrating that depth-2 is as powerful as any other depth for this task; (ii) we extend the merged-staircase necessity result for learning with latent low-dimensional structure [ABM22] to beyond the mean-field regime. Our techniques extend to stochastic gradient descent (SGD), for which we show nontrivial hardness results for learning with fully-connected networks, based on cryptographic assumptions.  ( 2 min )

A key challenge in Machine Learning is class imbalance, where the sample size of some classes (majority classes) are much higher than that of the other classes (minority classes). If we were to train a classifier directly on imbalanced data, it is more likely for the classifier to predict a new sample as one of the majority classes. In the extreme case, the classifier could completely ignore the minority classes. This could have serious sociological implications in healthcare, as the minority classes are usually the disease classes (e.g., death or positive clinical test result). In this paper, we introduce a software that uses Generative Adversarial Networks to oversample the minority classes so as to improve downstream classification. To the best of our knowledge, this is the first tool that allows multi-class classification (where the target can have an arbitrary number of classes). The code of the tool is publicly available in our github repository (https://github.com/yuxiaohuang/research/tree/master/gwu/working/cigan/code).  ( 2 min )

Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to the complexity of GNN execution. Lately, many works have been proposed to address some of the issues in GNN explanation. However, they lack generalization capability or suffer from computational burden when the size of graphs is enormous. To address these challenges, we propose a multi-level GNN explanation framework based on an observation that GNN is a multimodal learning process of multiple components in graph data. The complexity of the original problem is relaxed by breaking into multiple sub-parts represented as a hierarchical structure. The top-level explanation aims at specifying the contribution of each component to the model execution and predictions, while fine-grained levels focus on feature attribution and graph structure attribution analysis based on knowledge distillation. Student models are trained in standalone modes and are responsible for capturing different teacher behaviors, later used for particular component interpretation. Besides, we also aim for personalized explanations as the framework can generate different results based on user preferences. Finally, extensive experiments demonstrate the effectiveness and fidelity of our proposed approach.  ( 2 min )

In this paper, we present a medical AttentIon Denoising Super Resolution Generative Adversarial Network (AID-SRGAN) for diographic image super-resolution. First, we present a medical practical degradation model that considers various degradation factors beyond downsampling. To the best of our knowledge, this is the first composite degradation model proposed for radiographic images. Furthermore, we propose AID-SRGAN, which can simultaneously denoise and generate high-resolution (HR) radiographs. In this model, we introduce an attention mechanism into the denoising module to make it more robust to complicated degradation. Finally, the SR module reconstructs the HR radiographs using the "clean" low-resolution (LR) radiographs. In addition, we propose a separate-joint training approach to train the model, and extensive experiments are conducted to show that the proposed method is superior to its counterparts. e.g., our proposed method achieves $31.90$ of PSNR with a scale factor of $4 \times$, which is $7.05 \%$ higher than that obtained by recent work, SPSR [16]. Our dataset and code will be made available at: https://github.com/yongsongH/AIDSRGAN-MICCAI2022.  ( 2 min )

Deploying machine learning models requires high model quality and needs to comply with application constraints. That motivates hyperparameter optimization (HPO) to tune model configurations under deployment constraints. The constraints often require additional computation cost to evaluate, and training ineligible configurations can waste a large amount of tuning cost. In this work, we propose an Adaptive Constraint-aware Early stopping (ACE) method to incorporate constraint evaluation into trial pruning during HPO. To minimize the overall optimization cost, ACE estimates the cost-effective constraint evaluation interval based on a theoretical analysis of the expected evaluation cost. Meanwhile, we propose a stratum early stopping criterion in ACE, which considers both optimization and constraint metrics in pruning and does not require regularization hyperparameters. Our experiments demonstrate superior performance of ACE in hyperparameter tuning of classification tasks under fairness or robustness constraints.  ( 2 min )

Multiagent reinforcement learning (MARL) can solve complex cooperative tasks. However, the efficiency of existing MARL methods relies heavily on well-defined reward functions. Multiagent tasks with sparse reward feedback are especially challenging not only because of the credit distribution problem, but also due to the low probability of obtaining positive reward feedback. In this paper, we design a graph network called Cooperation Graph (CG). The Cooperation Graph is the combination of two simple bipartite graphs, namely, the Agent Clustering subgraph (ACG) and the Cluster Designating subgraph (CDG). Next, based on this novel graph structure, we propose a Cooperation Graph Multiagent Reinforcement Learning (CG-MARL) algorithm, which can efficiently deal with the sparse reward problem in multiagent tasks. In CG-MARL, agents are directly controlled by the Cooperation Graph. And a policy neural network is trained to manipulate this Cooperation Graph, guiding agents to achieve cooperation in an implicit way. This hierarchical feature of CG-MARL provides space for customized cluster-actions, an extensible interface for introducing fundamental cooperation knowledge. In experiments, CG-MARL shows state-of-the-art performance in sparse reward multiagent benchmarks, including the anti-invasion interception task and the multi-cargo delivery task.  ( 2 min )

Meta-learning from learning curves is an important yet often neglected research area in the Machine Learning community. We introduce a series of Reinforcement Learning-based meta-learning challenges, in which an agent searches for the best suited algorithm for a given dataset, based on feedback of learning curves from the environment. The first round attracted participants both from academia and industry. This paper analyzes the results of the first round (accepted to the competition program of WCCI 2022), to draw insights into what makes a meta-learner successful at learning from learning curves. With the lessons learned from the first round and the feedback from the participants, we have designed the second round of our challenge with a new protocol and a new meta-dataset. The second round of our challenge is accepted at the AutoML-Conf 2022 and currently ongoing .

Due to the high cost and reliability of sensors, the designers of a pump reduce the needed number of sensors for the estimation of the feasible operating point as much as possible. The major challenge to obtain a good estimation is the low amount of data available. Using this amount of data, the performance of the estimation method is not enough to satisfy the client requests. To solve this problem of scarcity of data, getting high quality data is important to obtain a good estimation. Based on these considerations, we develop an active learning framework for estimating the operating point of a Modular Multi Pump used in energy field. In particular we focus on the estimation of the surge distance. We apply Active learning to estimate the surge distance with minimal dataset. Results report that active learning is a valuable technique also for real application.  ( 2 min )

We propose a method to identify and characterize distribution shifts in classification datasets based on optimal transport. It allows the user to identify the extent to which each class is affected by the shift, and retrieves corresponding pairs of samples to provide insights on its nature. We illustrate its use on synthetic and natural shift examples. While the results we present are preliminary, we hope that this inspires future work on interpretable methods for analyzing distribution shifts.  ( 2 min )

Human decision making behavior is observed with choice-response time data during psychological experiments. Drift-diffusion models of this data consist of a Wiener first-passage time (WFPT) distribution and are described by cognitive parameters: drift rate, boundary separation, and starting point. These estimated parameters are of interest to neuroscientists as they can be mapped to features of cognitive processes of decision making (such as speed, caution, and bias) and related to brain activity. The observed patterns of RT also reflect the variability of cognitive processes from trial to trial mediated by neural dynamics. We adapted a SincNet-based shallow neural network architecture to fit the Drift-Diffusion model using EEG signals on every experimental trial. The model consists of a SincNet layer, a depthwise spatial convolution layer, and two separate FC layers that predict drift rate and boundary for each trial in-parallel. The SincNet layer parametrized the kernels in order to directly learn the low and high cutoff frequencies of bandpass filters that are applied to the EEG data to predict drift and boundary parameters. During training, model parameters were updated by minimizing the negative log likelihood function of WFPT distribution given trial RT. We developed separate decision SincNet models for each participant performing a two-alternative forced-choice task. Our results showed that single-trial estimates of drift and boundary performed better at predicting RTs than the median estimates in both training and test data sets, suggesting that our model can successfully use EEG features to estimate meaningful single-trial Diffusion model parameters. Furthermore, the shallow SincNet architecture identified time windows of information processing related to evidence accumulation and caution and the EEG frequency bands that reflect these processes within each participant.  ( 3 min )

Counterfactual, serving as one emerging type of model explanation, has attracted tons of attentions recently from both industry and academia. Different from the conventional feature-based explanations (e.g., attributions), counterfactuals are a series of hypothetical samples which can flip model decisions with minimal perturbations on queries. Given valid counterfactuals, humans are capable of reasoning under ``what-if'' circumstances, so as to better understand the model decision boundaries. However, releasing counterfactuals could be detrimental, since it may unintentionally leak sensitive information to adversaries, which brings about higher risks on both model security and data privacy. To bridge the gap, in this paper, we propose a novel framework to generate differentially private counterfactual (DPC) without touching the deployed model or explanation set, where noises are injected for protection while maintaining the explanation roles of counterfactual. In particular, we train an autoencoder with the functional mechanism to construct noisy class prototypes, and then derive the DPC from the latent prototypes based on the post-processing immunity of differential privacy. Further evaluations demonstrate the effectiveness of the proposed framework, showing that DPC can successfully relieve the risks on both extraction and inference attacks.  ( 2 min )

The basic Multi-Armed Bandits (MABs) problem is trying to maximize the rewards obtained from bandits with different unknown probability distributions of payoff for pulling different arms, given that only a finite number of attempts can be made. When studying trading algorithms in the market, we are looking at one of the most complex variants of MABs problems, namely the Non-stationary Continuum Bandits (NCBs) problem. The Bristol Stock Exchange (BSE) is a simple simulation of an electronic financial exchange based on a continuous double auction running via a limit order book. The market can be populated by automated trader agents with different trading algorithms. Within them, the PRSH algorithm embodies some basic ideas for solving NCBs problems. However, it faces the difficulty to adjust hyperparameters and adapt to changes in complex market conditions. We propose a new algorithm called PRB, which solves Continuum Bandits problem by Bayesian optimization, and solves Non-stationary Bandits problem by a novel "bandit-over-bandit" framework. With BSE, we use as many kinds of trader agents as possible to simulate the real market environment under two different market dynamics. We then examine the optimal hyperparameters of the PRSH algorithm and the PRB algorithm under different market dynamics respectively. Finally, by having trader agents using both algorithms trade in the market at the same time, we demonstrate that the PRB algorithm has better performance than the PRSH algorithm under both market dynamics. In particular, we perform rigorous hypothesis testing on all experimental results to ensure their correctness.  ( 3 min )

Blood oxygen level dependent (BOLD) MRI with maternal hyperoxia can assess oxygen transport within the placenta and has emerged as a promising tool to study placental function. Measuring signal changes over time requires segmenting the placenta in each volume of the time series. Due to the large number of volumes in the BOLD time series, existing studies rely on registration to map all volumes to a manually segmented template. As the placenta can undergo large deformation due to fetal motion, maternal motion, and contractions, this approach often results in a large number of discarded volumes, where the registration approach fails. In this work, we propose a machine learning model based on a U-Net neural network architecture to automatically segment the placenta in BOLD MRI and apply it to segmenting each volume in a time series. We use a boundary-weighted loss function to accurately capture the placental shape. Our model is trained and tested on a cohort of 91 subjects containing healthy fetuses, fetuses with fetal growth restriction, and mothers with high BMI. We achieve a Dice score of 0.83+/-0.04 when matching with ground truth labels and our model performs reliably in segmenting volumes in both normoxic and hyperoxic points in the BOLD time series. Our code and trained model are available at https://github.com/mabulnaga/automatic-placenta-segmentation.  ( 3 min )

Human-centered AI considers human experiences with AI performance. While abundant research has been helping AI achieve superhuman performance either by fully automatic or weak supervision learning, fewer endeavors are experimenting with how AI can tailor to humans' preferred skill level given fine-grained input. In this work, we guide the curriculum reinforcement learning results towards a preferred performance level that is neither too hard nor too easy via learning from the human decision process. To achieve this, we developed a portable, interactive platform that enables the user to interact with agents online via manipulating the task difficulty, observing performance, and providing curriculum feedback. Our system is highly parallelizable, making it possible for a human to train large-scale reinforcement learning applications that require millions of samples without a server. The result demonstrates the effectiveness of an interactive curriculum for reinforcement learning involving human-in-the-loop. It shows reinforcement learning performance can successfully adjust in sync with the human desired difficulty level. We believe this research will open new doors for achieving flow and personalized adaptive difficulties.  ( 2 min )

Currently, deep neural networks (DNNs) are widely adopted in different applications. Despite its commercial values, training a well-performed DNN is resource-consuming. Accordingly, the well-trained model is valuable intellectual property for its owner. However, recent studies revealed the threats of model stealing, where the adversaries can obtain a function-similar copy of the victim model, even when they can only query the model. In this paper, we propose an effective and harmless model ownership verification (MOVE) to defend against different types of model stealing simultaneously, without introducing new security risks. In general, we conduct the ownership verification by verifying whether a suspicious model contains the knowledge of defender-specified external features. Specifically, we embed the external features by tempering a few training samples with style transfer. We then train a meta-classifier to determine whether a model is stolen from the victim. This approach is inspired by the understanding that the stolen models should contain the knowledge of features learned by the victim model. In particular, we develop our MOVE method under both white-box and black-box settings to provide comprehensive model protection. Extensive experiments on benchmark datasets verify the effectiveness of our method and its resistance to potential adaptive attacks. The codes for reproducing the main experiments of our method are available at \url{https://github.com/THUYimingLi/MOVE}.  ( 3 min )

The knowledge gradient (KG) algorithm is a popular and effective algorithm for the best arm identification (BAI) problem. Due to the complex calculation of KG, theoretical analysis of this algorithm is difficult, and existing results are mostly about the asymptotic performance of it, e.g., consistency, asymptotic sample allocation, etc. In this research, we present new theoretical results about the finite-time performance of the KG algorithm. Under independent and normally distributed rewards, we derive bounds for the sample allocation of the algorithm. With these bounds, existing asymptotic results become simple corollaries. Furthermore, we derive upper and lower bounds for the probability of error and simple regret of the algorithm, and show the performance of the algorithm for the multi-armed bandit (MAB) problem. These developments not only extend the existing analysis of the KG algorithm, but can also be used to analyze other improvement-based algorithms. Last, we use numerical experiments to compare the bounds we derive and the performance of the KG algorithm.

Neural vocoder using denoising diffusion probabilistic model (DDPM) has been improved by adaptation of the diffusion noise distribution to given acoustic features. In this study, we propose SpecGrad that adapts the diffusion noise so that its time-varying spectral envelope becomes close to the conditioning log-mel spectrogram. This adaptation by time-varying filtering improves the sound quality especially in the high-frequency bands. It is processed in the time-frequency domain to keep the computational cost almost the same as the conventional DDPM-based neural vocoders. Experimental results showed that SpecGrad generates higher-fidelity speech waveform than conventional DDPM-based neural vocoders in both analysis-synthesis and speech enhancement scenarios. Audio demos are available at wavegrad.github.io/specgrad/.

We apply a stochastic sequential quadratic programming (StoSQP) algorithm to solve constrained nonlinear optimization problems, where the objective is stochastic and the constraints are deterministic. We study a fully stochastic setup, where only a single sample is available in each iteration for estimating the gradient and Hessian of the objective. We allow StoSQP to select a random stepsize $\bar{\alpha}_t$ adaptively, such that $\beta_t\leq \bar{\alpha}_t \leq \beta_t+\chi_t$, where $\beta_t$, $\chi_t=o(\beta_t)$ are prespecified deterministic sequences. We also allow StoSQP to solve Newton system inexactly via randomized iterative solvers, e.g., with the sketch-and-project method; and we do not require the approximation error of inexact Newton direction to vanish. For this general StoSQP framework, we establish the asymptotic convergence rate for its last iterate, with the worst-case iteration complexity as a byproduct; and we perform statistical inference. In particular, with proper decaying $\beta_t,\chi_t$, we show that: (i) the StoSQP scheme can take at most $O(1/\epsilon^4)$ iterations to achieve $\epsilon$-stationarity; (ii) asymptotically and almost surely, $\|(x_t -x^\star, \lambda_t - \lambda^\star)\| = O(\sqrt{\beta_t\log(1/\beta_t)})+O(\chi_t/\beta_t)$, where $(x_t,\lambda_t)$ is the primal-dual StoSQP iterate; (iii) the sequence $1/\sqrt{\beta_t}\cdot (x_t -x^\star, \lambda_t - \lambda^\star)$ converges to a mean zero Gaussian distribution with a nontrivial covariance matrix. Moreover, we establish the Berry-Esseen bound for $(x_t, \lambda_t)$ to measure quantitatively the convergence of its distribution function. We also provide a practical estimator for the covariance matrix, from which the confidence intervals of $(x^\star, \lambda^\star)$ can be constructed using iterates $\{(x_t,\lambda_t)\}_t$. Our theorems are validated using nonlinear problems in CUTEst test set.

The combination of Monte Carlo methods and deep learning has recently led to efficient algorithms for solving partial differential equations (PDEs) in high dimensions. Related learning problems are often stated as variational formulations based on associated stochastic differential equations (SDEs), which allow the minimization of corresponding losses using gradient-based optimization methods. In respective numerical implementations it is therefore crucial to rely on adequate gradient estimators that exhibit low variance in order to reach convergence accurately and swiftly. In this article, we rigorously investigate corresponding numerical aspects that appear in the context of linear Kolmogorov PDEs. In particular, we systematically compare existing deep learning approaches and provide theoretical explanations for their performances. Subsequently, we suggest novel methods that can be shown to be more robust both theoretically and numerically, leading to substantial performance improvements.

Expected risk minimization (ERM) is at the core of machine learning systems. This means that the risk inherent in a loss distribution is summarized using a single number - its average. In this paper, we propose a general approach to construct risk measures which exhibit a desired tail sensitivity and may replace the expectation operator in ERM. Our method relies on the specification of a reference distribution with a desired tail behaviour, which is in a one-to-one correspondence to a coherent upper probability. Any risk measure, which is compatible with this upper probability, displays a tail sensitivity which is finely tuned to the reference distribution. As a concrete example, we focus on divergence risk measures based on f-divergence ambiguity sets, which are a widespread tool used to foster distributional robustness of machine learning systems. For instance, we show how ambiguity sets based on the Kullback-Leibler divergence are intricately tied to the class of subexponential random variables. We elaborate the connection of divergence risk measures and rearrangement invariant Banach norms.

In this paper we explore cyber security defence, through the unification of a novel cyber security simulator with models for (causal) decision-making through optimisation. Particular attention is paid to a recently published approach: dynamic causal Bayesian optimisation (DCBO). We propose that DCBO can act as a blue agent when provided with a view of a simulated network and a causal model of how a red agent spreads within that network. To investigate how DCBO can perform optimal interventions on host nodes, in order to reduce the cost of intrusions caused by the red agent. Through this we demonstrate a complete cyber-simulation system, which we use to generate observational data for DCBO and provide numerical quantitative results which lay the foundations for future work in this space.

The virtuoso plays the piano with passion, poetry and extraordinary technical ability. As Liszt said (a virtuoso)must call up scent and blossom, and breathe the breath of life. The strongest robots that can play a piano are based on a combination of specialized robot hands/piano and hardcoded planning algorithms. In contrast to that, in this paper, we demonstrate how an agent can learn directly from machine-readable music score to play the piano with dexterous hands on a simulated piano using reinforcement learning (RL) from scratch. We demonstrate the RL agents can not only find the correct key position but also deal with various rhythmic, volume and fingering, requirements. We achieve this by using a touch-augmented reward and a novel curriculum of tasks. We conclude by carefully studying the important aspects to enable such learning algorithms and that can potentially shed light on future research in this direction.

Estimating uncertainty is at the core of performing scientific measurements in HEP: a measurement is not useful without an estimate of its uncertainty. The goal of uncertainty quantification (UQ) is inextricably linked to the question, "how do we physically and statistically interpret these uncertainties?" The answer to this question depends not only on the computational task we aim to undertake, but also on the methods we use for that task. For artificial intelligence (AI) applications in HEP, there are several areas where interpretable methods for UQ are essential, including inference, simulation, and control/decision-making. There exist some methods for each of these areas, but they have not yet been demonstrated to be as trustworthy as more traditional approaches currently employed in physics (e.g., non-AI frequentist and Bayesian methods). Shedding light on the questions above requires additional understanding of the interplay of AI systems and uncertainty quantification. We briefly discuss the existing methods in each area and relate them to tasks across HEP. We then discuss recommendations for avenues to pursue to develop the necessary techniques for reliable widespread usage of AI with UQ over the next decade.

In this paper, we provide an extension of confidence sequences for settings where the variance of the data-generating distribution does not exist or is infinite. Confidence sequences furnish confidence intervals that are valid at arbitrary data-dependent stopping times, naturally having a wide range of applications. We first establish a lower bound for the width of the Catoni-style confidence sequences for the finite variance case to highlight the looseness of the existing results. Next, we derive tight Catoni-style confidence sequences for data distributions having a relaxed bounded~$p^{th}-$moment, where~$p \in (1,2]$, and strengthen the results for the finite variance case of~$p =2$. The derived results are shown to better than confidence sequences obtained using Dubins-Savage inequality.  ( 2 min )

Globally, the number of obese patients has doubled due to sedentary lifestyles and improper dieting. The tremendous increase altered human genetics, and health. According to the world health organization, Life expectancy dropped from 80 to 75 years, as obese people struggle with different chronic diseases. This report will address the problems of obesity in children and adults using ML datasets to feature, predict, and analyze the causes of obesity. By engaging neural ML networks, we will explore neural control using diffusion tensor imaging to consider body fats, BMI, waist \& hip ratio circumference of obese patients. To predict the present and future causes of obesity with ML, we will discuss ML techniques like decision trees, SVM, RF, GBM, LASSO, BN, and ANN and use datasets implement the stated algorithms. Different theoretical literature from experts ML \& Bioinformatics experiments will be outlined in this report while making recommendations on how to advance ML for predicting obesity and other chronic diseases.  ( 2 min )

We analyze principal component regression (PCR) in a high-dimensional error-in-variables setting with fixed design. Under suitable conditions, we show that PCR consistently identifies the unique model with minimum $\ell_2$-norm and is near minimax optimal. These results enable us to establish non-asymptotic out-of-sample prediction guarantees that improve upon the best known rates. In our analysis, we introduce a natural linear algebraic condition between the in- and out-of-sample covariates, which allows us to avoid distributional assumptions. Our simulations illustrate the importance of this condition for generalization, even under covariate shifts. As a byproduct, our results also lead to novel results for the synthetic controls literature, a leading approach for policy evaluation. In particular, our minimax results suggest the attractiveness of PCR based methods amongst the numerous variants. To the best of our knowledge, our prediction guarantees for the fixed design setting have been elusive in both the high-dimensional error-in-variables and synthetic controls literatures.  ( 2 min )

A simple and natural algorithm for reinforcement learning (RL) is Monte Carlo Exploring Starts (MCES), where the Q-function is estimated by averaging the Monte Carlo returns, and the policy is improved by choosing actions that maximize the current estimate of the Q-function. Exploration is performed by "exploring starts", that is, each episode begins with a randomly chosen state and action, and then follows the current policy to the terminal state. In the classic book on RL by Sutton & Barto (2018), it is stated that establishing convergence for the MCES algorithm is one of the most important remaining open theoretical problems in RL. However, the convergence question for MCES turns out to be quite nuanced. Bertsekas & Tsitsiklis (1996) provide a counter-example showing that the MCES algorithm does not necessarily converge. Tsitsiklis (2002) further shows that if the original MCES algorithm is modified so that the Q-function estimates are updated at the same rate for all state-action pairs, and the discount factor is strictly less than one, then the MCES algorithm converges. In this paper we make headway with the original and more efficient MCES algorithm given in Sutton & Barto (1998), establishing almost sure convergence for Optimal Policy Feed-Forward MDPs, which are MDPs whose states are not revisited within any episode when using an optimal policy. Such MDPs include a large class of environments such as all deterministic environments and all episodic environments with a timestep or any monotonically changing values as part of the state. Different from the previous proofs using stochastic approximations, we introduce a novel inductive approach, which is very simple and only makes use of the strong law of large numbers.  ( 3 min )

Many modern algorithms for inverse problems and data assimilation rely on ensemble Kalman updates to blend prior predictions with observed data. Ensemble Kalman methods often perform well with a small ensemble size, which is essential in applications where generating each particle is costly. This paper develops a non-asymptotic analysis of ensemble Kalman updates that rigorously explains why a small ensemble size suffices if the prior covariance has moderate effective dimension due to fast spectrum decay or approximate sparsity. We present our theory in a unified framework, comparing several implementations of ensemble Kalman updates that use perturbed observations, square root filtering, and localization. As part of our analysis, we develop new dimension-free covariance estimation bounds for approximately sparse matrices that may be of independent interest.  ( 2 min )

Data poisoning considers an adversary that distorts the training set of machine learning algorithms for malicious purposes. In this work, we bring to light one conjecture regarding the fundamentals of data poisoning, which we call the Lethal Dose Conjecture. The conjecture states: If $n$ clean training samples are needed for accurate predictions, then in a size-$N$ training set, only $\Theta(N/n)$ poisoned samples can be tolerated while ensuring accuracy. Theoretically, we verify this conjecture in multiple cases. We also offer a more general perspective of this conjecture through distribution discrimination. Deep Partition Aggregation (DPA) and its extension, Finite Aggregation (FA) are recent approaches for provable defenses against data poisoning, where they predict through the majority vote of many base models trained from different subsets of training set using a given learner. The conjecture implies that both DPA and FA are (asymptotically) optimal -- if we have the most data-efficient learner, they can turn it into one of the most robust defenses against data poisoning. This outlines a practical approach to developing stronger defenses against poisoning via finding data-efficient learners. Empirically, as a proof of concept, we show that by simply using different data augmentations for base learners, we can respectively double and triple the certified robustness of DPA on CIFAR-10 and GTSRB without sacrificing accuracy.  ( 3 min )

Approximate message passing (AMP) emerges as an effective iterative paradigm for solving high-dimensional statistical problems. However, prior AMP theory -- which focused mostly on high-dimensional asymptotics -- fell short of predicting the AMP dynamics when the number of iterations surpasses $o\big(\frac{\log n}{\log\log n}\big)$ (with $n$ the problem dimension). To address this inadequacy, this paper develops a non-asymptotic framework for understanding AMP in spiked matrix estimation. Built upon new decomposition of AMP updates and controllable residual terms, we lay out an analysis recipe to characterize the finite-sample behavior of AMP in the presence of an independent initialization, which is further generalized to allow for spectral initialization. As two concrete consequences of the proposed analysis recipe: (i) when solving $\mathbb{Z}_2$ synchronization, we predict the behavior of spectrally initialized AMP for up to $O\big(\frac{n}{\mathrm{poly}\log n}\big)$ iterations, showing that the algorithm succeeds without the need of a subsequent refinement stage (as conjectured recently by \citet{celentano2021local}); (ii) we characterize the non-asymptotic behavior of AMP in sparse PCA (in the spiked Wigner model) for a broad range of signal-to-noise ratio.  ( 2 min )

Neural Networks are known to be sensitive to initialisation. The explanation methods that rely on neural networks are not robust since they can have variations in their explanations when the model is initialized and trained with different random seeds. The sensitivity to model initialisation is not desirable in many safety critical applications such as disease diagnosis in healthcare, in which the explainability might have a significant impact in helping decision making. In this work, we introduce a novel method based on parameter averaging for robust explainability in tabular data setting, referred as XTab. We first initialize and train multiple instances of a shallow network (referred as local masks) with different random seeds for a downstream task. We then obtain a global mask model by "averaging the parameters" of local masks and show that the global model uses the majority rule to rank features based on their relative importance across all local models. We conduct extensive experiments on a variety of real and synthetic datasets, demonstrating that the proposed method can be used for feature selection as well as to obtain the global feature importance that are not sensitive to sub-optimal model initialisation.  ( 2 min )

With the increasing adoption of machine learning (ML) models and systems in high-stakes settings across different industries, guaranteeing a model's performance after deployment has become crucial. Monitoring models in production is a critical aspect of ensuring their continued performance and reliability. We present Amazon SageMaker Model Monitor, a fully managed service that continuously monitors the quality of machine learning models hosted on Amazon SageMaker. Our system automatically detects data, concept, bias, and feature attribution drift in models in real-time and provides alerts so that model owners can take corrective actions and thereby maintain high quality models. We describe the key requirements obtained from customers, system design and architecture, and methodology for detecting different types of drift. Further, we provide quantitative evaluations followed by use cases, insights, and lessons learned from more than two years of production deployment.  ( 2 min )

Hey everyone! Just wanted to share that the recordings of the machine learning and data management talks from SciPy 2022 are up on YouTube. Some particular talks that might be of interest: Savin Goyal giving an intro to Metaflow for data science Kevin Kho on what's new in Prefect 1.0 Niels Bantilan on productizing machine learning workflows with flyte Seb Raschka on using regression with ordered categories Davina Zamanzadeh on why you might want to introduce missing values on purpose Paul Anzel on how to test your data Allan Campopiano talking about why the normal distribution doesn't exist Here is the full playlist for the machine learning talks: https://www.youtube.com/playlist?list=PLYx7XA2nY5GcBWLGTzhJ1vxGtHIcyHrRr And the full playlist for the data lifecycle talks: https://www.youtube.com/playlist?list=PLYx7XA2nY5Gde0WF1yswQw5InhmSNED8o submitted by /u/verfahrensweise [link] [comments]  ( 87 min )

Common sense tells me that the answer is "yes", but my confusion is as follows: At the bottom of the Latent Diffusion - LAION-400M huggingface space, it says "Who owns the images produced by this demo? Definetly not me! Probably you do." The model was trained on the LAION-400M dataset (obviously), and in its website it says "The images are under their copyright." Since the images are "under their copyright" it seems very possible to me that the model could accidentally spit out an image that is too similar to a copyrighted one from the dataset, and thus I would not "own it". I probably wouldn't even be able to use it. Much less for commercial purposes (which is what I'm interested in). It really does look like the images are "under their copyright" because on some results from that model you can almost read "iStock" at the bottom of the image. This would make it pretty dangerous to use the image like I "owned" it. What are your thoughts on this? submitted by /u/No_Application_5581 [link] [comments]  ( 113 min )

Perhaps the most iconic symbol from Naruto is the sharingan, the infamous eye mark of the Uchiha clan. The original sharingans are visually striking and beautifully designed by the show’s creators. Many Naruto fans have even been inspired to generate their own versions of the sharingan. After watching the show, I too was inspired to craft my own sharingan. Unfortunately, I’m not very artistic. So instead, I made the sharinGAN: a GAN to create novel sharingan artwork for me. Since our training data is composed entirely of 15 sharingans from the series, this poses a challenging and fun problem of generating high-fidelity images in the extremely low-data regime. Feel free to check it out at www.sharingans.com. Feedback is welcome! submitted by /u/leonardtang [link] [comments]  ( 115 min )

can anyone refer me to any x-ray abdominal segmentation papers or datasets? I could only find CT-focused papers/datasets and mostly classification or limited (chest x-ray, lung, and heart) segmentation. is there any literature or surveys to check? submitted by /u/Plastic-Ad4239 [link] [comments]  ( 87 min )

Please give me a hint! it is necessary to predict another state from one state of the cellular automaton (each state is a binary matrix 20x20). When solving, you cannot use machine learning libraries (sklearn, torch, etc.).The error function is MSE, i.e. real numbers are predicted (20x20 matrix for each id).I have a training sample where "y_0-y_399" are known and "x_0-x_399" are known. and "x" and "y" are BINARY. If you apply a function to "y", then you get "x". I have a test sample, where only "x_0-x_399". You have to predict "y". As "y_0-y_399" get real numbers from 0 to 1. The data is presented in csv format. Objects are recorded by sinks. column 'id' - object number (numbering is different in the training and test samples) 'regime' column - initial state formation mode column 's…  ( 117 min )

I recently encountered the PaLM (Scaling Language Modeling with Pathways) paper from Google Research and it opened up a can of worms of ideas I’ve felt I’ve intuitively had for a while, but have been unable to express – and I know I can’t be the only one. Sometimes I wonder what the original pioneers of AI – Turing, Neumann, McCarthy, etc. – would think if they could see the state of AI that we’ve gotten ourselves into. 67 authors, 83 pages, 540B parameters in a model, the internals of which no one can say they comprehend with a straight face, 6144 TPUs in a commercial lab that no one has access to, on a rig that no one can afford, trained on a volume of data that a human couldn’t process in a lifetime, 1 page on ethics with the same ideas that have been rehashed over and over elsewhere wi…  ( 111 min )

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Paper: https://arxiv.org/abs/2204.07141 Github: https://github.com/facebookresearch/msn Abstract: We propose Masked Siamese Networks (MSN), a self-supervised learning framework for learning image representations. Our approach matches the representation of an image view containing randomly masked patches to the representation of the original unmasked image. This self-supervised pre-training strategy is particularly scalable when applied to Vision Transformers since only the unmasked patches are processed by the network. As a result, MSNs improve the scalability of joint-embedding architectures, while producing representations of a high semantic level that perform competitively on low-shot image classification. For instance, on ImageNet-1K, with only 5,000 annotated images, our base MSN model achieves 72.4% top-1 accuracy, and with 1% of ImageNet-1K labels, we achieve 75.7% top-1 accuracy, setting a new state-of-the-art for self-supervised learning on this benchmark. Our code is publicly available. https://preview.redd.it/rksexr4jdbg91.jpg?width=1128&format=pjpg&auto=webp&s=141daf3117fbead562c1f45d583150c0dae81049 https://preview.redd.it/x1zzqt4jdbg91.jpg?width=1233&format=pjpg&auto=webp&s=05e8db351cf6824414ed0244a7cb251154c62db0 https://preview.redd.it/1df6zv4jdbg91.jpg?width=1199&format=pjpg&auto=webp&s=d98ec85b00082d4658195eae73de43908ad27e51 https://preview.redd.it/xee95t4jdbg91.jpg?width=1207&format=pjpg&auto=webp&s=35dfa3e6bf092dbf49b23dd50a75a2e7efe81324 submitted by /u/Singularian2501 [link] [comments]  ( 88 min )

Saw this datascience interview question posted. ​ Let’s say you work at Google. You are developing a spam classifier to classify emails into spam vs. non-spam categories based on their content. You try several different classifiers like SVM, Random Forests, etc., but none of them produce satisfactory results. So, you decide to combine them together by using stacking. What classifier should you use as the meta-classifier in your stacking model and why? ​ So from my understanding, a meta classifier is essentially a model that takes as input feature the output from other models, and then provides a final prediction based on that. But what arguments are there for using a specific classifier as the top classifier? submitted by /u/bandalorian [link] [comments]  ( 98 min )

Suppose you have two ML models A and B and you want to see if there is a significant difference in preformance among them on a dataset D. D is a big dataset and has a predefined holdout test set (>10k sample). The performance is measured on accuracy (correct / all), but I would appreciate discussing other metrics if possible. Now, the models are stochastic, so it gives different results in different runs. So we run the model K times on the exact same holdout test data. Suppose K is low, eg 5. At this point we have 5 performance metrics for A and 5 for B. We can compute a mean and an std. Now, is there any statistical test to test if the difference in the mean is likely significant? submitted by /u/ombelicoInfinito [link] [comments]  ( 114 min )

I have had this feeling for some time. Since ML research has exploded, going fast and lucrative. Has it changed the way ML researchers look at themselves and conduct themselves? Is putting the next result personally for them, a matter of pushing the boundaries of the body of knowledge in ML or is it just a paper pushing exercise for a better CV or a survival instinct now that everyone's publishing and now they have to too? What goes in an ML researcher and graduates students mind when ones going about their business apart from the actual research that happens if at all it does? Is there a crisis of meaning that what they are doing is ultimately worthless and it's just a career exercise ? submitted by /u/Cool_Abbreviations_9 [link] [comments]  ( 93 min )

I recently got into the field of controllable text generation (CTG). I find it very interesting, given its potential applications in industry. However, I still find the field a bit confusing. In particular, there seems to be no clear definition what CTG is and how to benchmark it. E.g., in my intuition CTG means controlling secondary aspects of the output like sentiment, like doing QA but with sentiment control. However, things like data-to-text or style transfer are also considered control tasks in itself, but then the control aspect is the primary concern of the model. So essentially, the control task simply becomes a seq2seq task. For those working in the field. Can you understand my confusion? Do you feel similarly? Whats the reason the field doesnt have a clear standard and benchmark as other fields have? submitted by /u/_Arsenie_Boca_ [link] [comments]  ( 90 min )

Fine-tuning train model weights for sure but does it train input embeddings as well? submitted by /u/SEAIndigenous [link] [comments]  ( 88 min )

Note, this a question, but I figured it was a bit more advanced than a beginner question. The core of a latent variable model (specifically a VAE) can be described as follows: ​ Equation 1 We are trying to optimize the likelihood of generating a particular sample from our training dataset. We can also write this equation like: Equation 2 Here's the issue: Consider a 100-dimensional binary latent space that we sample from uniformly. The value of $P(z)$ will be $\frac{1}{0.5^{100}}$ for any given $z$. This means the gradient update will be extremely small as well, and so (theoretically) it should be hard for the model to learn anything. Can someone explain to me what's going on? submitted by /u/vanilla-acc [link] [comments]  ( 116 min )

Hi, Many of those Large Language Models could be applied to domains beyond traditional NLP tasks. I know that there are some Biomedical NLP tasks. But what about other domains of NLP tasks? Thanks so much!!!!!!!! submitted by /u/Sedi_RockStar [link] [comments]  ( 111 min )

I'm hoping for a model recommendation here, especially one that's so lightweight that it could run in a browser (that is, in JavaScript). But Pythonic solutions are fine too. I've been playing around with a little project that tries to land on a short melody simply by feeding the user short sequences of 3-5 pitches in different intervals and asking her to rate how pleasant they sound (up or down) and then learning the sorts of patterns she prefers. It's mainly a proof of concept and a chance to explore very basic musical ML. My first question is just what the simplest model is for a content-based recommendation engine that begins with zero knowledge and learns on the fly. I say "simple" both because I want to completely understand how it works and because, in an ideal world, it could jus…  ( 90 min )

Machine learning is being used in almost every industry, including healthcare. However, due to the intrinsic complexity of healthcare data, classical machine learning faces various difficulties while dealing with these data. This is because healthcare outcomes like mortality, stroke, cancer initiation, and readmission frequently have a continuous time to events. Since time-to-event data frequently contains individuals whose outcomes are missing or censored owing to loss of follow-up, dealing with this type of data is much more difficult. The researchers have established that traditional classification and regression methods do not offer a simple solution to dealing with such clinical data. Many researchers have been interested in applying deep neural networks, which may be used to create nonlinear representations of complex clin A new study by Auton Lab at Carnegie Mellon University introduced the auton-survival package, a comprehensive Python library of user-friendly tools for machine learning applications in the presence of censored time-to-event data. Continue reading | Check out the paper, package submitted by /u/ai-lover [link] [comments]  ( 87 min )

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ReasoNet is a AI reading comprehender (https://www.the-sun.com/tech/5825269/artificial-intelligence-robots-beat-humans/) Initially, I was impressed, but it seems that it does not comprehend things. (at least mathematical concepts) https://preview.redd.it/u2igvwjqzag91.png?width=1902&format=png&auto=webp&s=9af530193ba01257f068c36d76054197b39da84a I know nothing about its inner workings, but this to me looks like little improvement from humans using Ctrl+F. But I'm sure this can be improved. Kudos to the authors. (Yelong Shen, Po-Sen Huang, Jianfeng Gao, Weizhu Chen) ​ See for yourselves: https://machinereading.azurewebsites.net/ submitted by /u/Monoclonal_bob [link] [comments]  ( 87 min )

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I find moralizing, the creation of Dall-E! For Dall-E, a "child?" disguised as a "cabaret girl?" would result from a dystopian anarchy! And in fact, if we read the definitions of dystopia and anarchy on Wikipedia, this child would come out of a story where a libertarian society (anarchy), with a total authority over its citizens, would impose (dystopia) adult behaviors on children! ​ dystopian anarchy, detailed, cute, soft. High quality, studio lighting (Dall-E) submitted by /u/StantheBrain [link] [comments]  ( 89 min )

https://blenderbot.ai/ submitted by /u/roblox22y [link] [comments]  ( 86 min )

A governance paradigm called “responsible AI” describes how a particular organization handles the ethical and legal issues around artificial intelligence (AI). Liable AI projects are primarily motivated by the need to clarify who is responsible if something goes wrong. The data scientists and software engineers who create and implement an organization’s AI algorithmic models are responsible for developing appropriate, reliable AI standards. This indicates that each organization has different requirements for the procedures needed to stop prejudice and ensure transparency. What are the guiding principles of ethical AI? AI should be comprehensive, understandable, moral, and practical, supported by machine learning models that are ethical and effective. Comprehensiveness – To prevent machine learning from being easily hijacked, comprehensive AI includes well-defined testing and governance standards. Explainable – AI is built to explain its goal, justification, and decision-making process in terms the ordinary end user can comprehend. Processes are part of ethical AI projects to identify and eliminate bias in machine learning models. Practical AI is capable of continuous operation and rapid responses to alterations in the operating environment. Toolkits and Projects for Responsible AI TensorFlow Privacy A Python module called TensorFlow Privacy contains TensorFlow optimizers that may be used to train machine learning models with differential privacy. TensorFlow Federated The Federated Learning (FL) method to machine learning, where a shared global model is built across multiple participating clients that maintain their training data locally, has been the focus of TFF’s development to support open research and experimentation. ..... Continue reading submitted by /u/ai-lover [link] [comments]  ( 87 min )

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Suppose you have a number of seconds n and you want to convert it to hours and seconds. If you divide n by 3600, the quotient is the number of hours and the remainder is the number of seconds. For example, suppose n = 8072022. Here’s the obvious way to do the calculation in Python: […] Seconds to hours first appeared on John D. Cook.  ( 5 min )

The authors of "The Primacy Bias in Deep Reinforcement Learning" present the concept: "The Primacy Bias in Deep RL: a tendency to overfit initial experiences that damages the rest of the learning process'" To remedy this issue, they propose to periodically reset some layers (even the whole) of the networks but maintaining the experience within the buffer. I wonder: to what extent this primacy bias is caused by a large learning rate in the first iterations? if this is the case, what if we set the learning rate to a small value in the beginning, then we allow it to increase up to a point and then decrease it as usual? It seems strange to me the fact of resetting layers. submitted by /u/rlopes404 [link] [comments]  ( 87 min )

Hi, I am fairly new to (offline) reinforcement learning and currently building a TD3-BC model to learn an optimal policy based on a behavioural policy, observed from a static offline dataset. I am planning to train this model on different time steps, or different episode terminals. Eg a model that is trained on a dataset that has episode terminals every 10 steps in a sequence, vs a model that is trained on episode terminals as 20 steps. My research question consists of comparing between the best models on these different timesteps to evaluate which episode end provides the largest cumulative rewards (gains) for the RL agent. Deploying this model online is currently not possible, but I am currently working on creating a simulator which will be accurate enough to reflect real life scenario…  ( 101 min )

Through the means of a computational framework of reinforcement learning, researchers from Princeton University have tried to find the relationship between happiness with habituation and comparisons that humans operate on. habituation and comparison are two factors that are found to affect human happiness the most, but the most crucial question is why these features decide when we feel happy and when we do not. The framework is built to answer this question precisely and in a scientific manner. In standard RL theory, the reward functions serve the role of defining optimal behavior. Through machine learning, it’s also come to light that the reward function steers the agent from incompetence to mastery. It is found that the reward functions that are based on external factors facilitate faster learning. It is found that the agents perform sub-optimally where aspirations are left unchecked, and they become too high. RL describes how an agent interacting with its environment can learn to choose its actions to maximize the reward from an activity; The environment has different states, which can lead to multiple distinguishable actions from the agent. We divide the reward function into two categories Objective and Subjective reward functions. The objective reward function outlines the task, i.e., what the agent designer wants the RL agent to achieve, making the job significantly harder to solve. Because of this, some parameters of the reward functions are changed. The parametric modified objective reward system is called subjective reward functions, which, when used by an agent to learn, can maximize the expected objective reward. The reward functions depend very sensitively on the environment. The environment chosen is a simulated space inside a more extensive environment known as a grid world which is a popular testing space for RL. Continue reading | Check out the paper submitted by /u/ai-lover [link] [comments]  ( 88 min )

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Hello everyone! ​ Recently I had a doubt that is making me a little uneasy. I would like to know what would be the "absolute" technical definitions to describe an artificial intelligence such as the one presented to us in the Netflix movie "I Am Mother" and also in the movie "STEALTH", where we also meet an artificial intelligence called EDI or "Eddie". ​ And in the case of the artificial intelligence called The Director, in the Travelers series. ​ If you can help me describe in general what the general capabilities of these artificial intelligences are and how to improve them to a level of perfection and "absolute" capabilities, I would be very grateful! ​ ​ Thank you for your attention! submitted by /u/LyleLewliet [link] [comments]  ( 86 min )

Find the maximum value of x such that x divides all p^32 - 1 for all primes p > 20. I simply do not believe that an AI is incapable of solving such a question. https://preview.redd.it/8ask6kdv05g91.png?width=577&format=png&auto=webp&s=7aa27f30556a364f4c36672be1357e99b8fd5248 submitted by /u/danielodicho [link] [comments]  ( 89 min )

Can someone sand me an invite for DALL•E OpenAI? submitted by /u/anonymoussthingss [link] [comments]  ( 89 min )

submitted by /u/ai-lover [link] [comments]  ( 87 min )

I recently started to mess around with midjourney after seeing some other artists posting what they were making. It took me about 10 minutes to make this gnome village with some minor photoshop work (I combined 2 variations with a little photoshop on the foreground character). This level of art being generated with the help of AI is an absolute game changer. https://preview.redd.it/s7df9eynw3g91.png?width=1792&format=png&auto=webp&s=9d377e2f323dfa261cf30f40af969a8e93130b52 submitted by /u/SeelieForest [link] [comments]  ( 93 min )

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Just as the title says. Im just curious which ones yall think are the best submitted by /u/Mundane-Afternoon265 [link] [comments]  ( 87 min )

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Hi all, Over the last few weeks I've been developing a demo of a game idea I've had for a while. In this game, you and a friend are each given separate prompts you must draw. However you must both share the same canvas and take turns drawing strokes to make the image more resemble your assigned class. The winner is determined by the predictions of a deep vision model trained on the Quickdraw dataset. Images (sorry, I'm still pretty new to Reddit so I'm a little unclear as to how to embed images) https://raw.githubusercontent.com/kylesayrs/Competitive-Drawing/main/repo_assets/panda_duck.gif https://raw.githubusercontent.com/kylesayrs/Competitive-Drawing/main/flaskr/static/assets/logo.png https://github.com/kylesayrs/Competitive-Drawing/blob/main/repo_assets/squirrel_dragon.png https://g…  ( 114 min )

Title pretty much says it all. I have addressed reviewers concerns and provided even more in the rebuttal to address any confusions they had. I have asked them directly and politely to increase their score. Furthermore the AC has asked them to respond quickly. What happens if they do not respond? This is for neurips 2022 submitted by /u/AbjectDrink3276 [link] [comments]  ( 88 min )

I want to use human raters to compare different LLMs and was curious what people would recommend for this. I saw prodigy by spacy but not sure if there are better options. Thanks! submitted by /u/gabriel_pereyra [link] [comments]  ( 88 min )

I have just bought a couple of k80's at a ridiculously low price. ATM I will be adding one of them to my win 10 / python desktop with adequate cooling and power of course. But I was thinking, the multi PCi-E mining rig motherboards may be ok for say 6 of the k80's. I think the real question is, if it did work how do I utilise all 12 GPU's ? Or even if a home made GPU server can tap into that much processing efficiently ? I have seen hypervisor GPU separation discussed which looks interesting for multi tasking. submitted by /u/BubbleGaff [link] [comments]  ( 88 min )

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Hello everyone, I wonder if anyone is dealing with autoencoder! I want to use it to represent the Molecular Dynamics trajectory. I learned the code of autoencoder in Python BUT I'm feeling confused about how can represent the MDtraj with autoencoder. ...so anyone prior dealt with trajectory ?? submitted by /u/M-zatary [link] [comments]  ( 88 min )

https://www.kaggle.com/competitions/digital-turbine-auction-bid-price-prediction/overview submitted by /u/EducationalCicada [link] [comments]  ( 87 min )

submitted by /u/iFighting [link] [comments]  ( 88 min )

I recently embarked into the world of unsupervised learning and I realised that it has a lot of potential for start-ups and companies that could use large unlabelled data for making the model pre train the basic features and then use their costly limited data for fine tuning. I am just posting the order in which I read the papers and other could also follow this method to understand this field. Supervised Contrastive learning - https://arxiv.org/abs/2004.11362 SimCLR - https://arxiv.org/pdf/2002.05709.pdf MoCo - https://arxiv.org/abs/1911.05722 SimCLR v2.0 - https://arxiv.org/abs/2006.10029 MoCov v2.0 - https://arxiv.org/abs/2003.04297v1 SwaV - https://arxiv.org/pdf/2006.09882.pdf Bootstrap your own latent - http://www.arxiv.org/abs/2006.07733 SimSiam - https://arxiv.org/abs/2011.10566 If there are any other recent papers it would be great to add it to the list. submitted by /u/skeletons_of_closet [link] [comments]  ( 89 min )

What is the difference between AI in healthcare and bioinformatics ? submitted by /u/engkhaledeisa [link] [comments]  ( 87 min )

Published a blog post on Class Activation Map https://pmgautam.com/computer-vision/2022/08/05/Class-activation-maps.html #computervision #PyTorch #CNN #CAM #DeepLearning #visualization submitted by /u/p1g1 [link] [comments]  ( 87 min )

Here is the link to the repo https://github.com/Shreyz-max/Doodle-to-Image-Generator submitted by /u/Shreya001 [link] [comments]  ( 86 min )

Planck’s constant used to be a measured quantity and now it is exact by definition. h = 6.62607015×10−34 J / Hz Rather than the kilogram being implicit in the units used to measure Planck’s constant, the mass of a kilogram is now defined to be whatever it has to be to make Planck’s constant have […] Memorizing Planck’s constant with DALL-E first appeared on John D. Cook.  ( 5 min )

I recently got an account for using OpenAI’s DALL-E 2 image generator. The example images I’ve seen are sorta surreal combinations of common words, and that made me think of the Major memory system. I’ve written about the Major system before. For example, I give an overview here and I describe how to use it […] DALL-E 2 and mnemonic images first appeared on John D. Cook.  ( 6 min )

submitted by /u/gwern [link] [comments]  ( 86 min )

So, I'm trying to create an RL model where the agent tries to learn a player's behavior based on his/her features and gameplay history. However, I can not test the model on actual data. To circumvent this, I trained a (not so accurate) Supervised Learning (RFC) model that can simulate the player's behavior. And whenever I feed it an input state, it can give me a predicted output. And this is what I'm using in place of the actual environment "step" or player response if you will. Is this approach wrong? I'm using the same set of features to train the RFC that I'm using to create my state. And my DQN model is giving me great results. Is it because the model is chasing another model which is using the same set of features? Also, is there any other way to test since the policy can change the agent's state in a number of ways for which I may not have the historical data? How do people test the model then? submitted by /u/gaurjimmy [link] [comments]  ( 87 min )

I`m doing a research on IQN on Stock Market and wonder if Prioritized Experience Replay would make sense for it as well, as it is not just the one state but multiple states/experiences in series in importancy. submitted by /u/GarantBM [link] [comments]  ( 87 min )

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I encounter a situation that the randomly initialized model performs better than the partially trained ones for certain particular models. (Others performs just fine with the same script) Does that make sense? I cannot find any bug in it since I just change the environment from the default one to my own. Is it just because this model cannot learn well in the environment? I have checked the losses all seems reasonable. submitted by /u/Blasphemer666 [link] [comments]  ( 86 min )

I have to confess: recently I did not get to do a lot of horsing around with new, hot neural network architectures. I do not have as much time to fully reimplement papers as I used to as a university student. But luckily, I found out that if one has access to very good code, one can gain deep knowledge of an algorithm solely by running the code through my debugger, analyzing what is going on step-by-step, and cross-referencing ones understanding with the original paper. And plotting - a lot of plotting to visualize concepts; we humans are very visual beasts after all. So I set out to finally understand how this cool invention called NeRF (Neural Radiance Fields) works. I was supposed to spend a rainy evening just clicking through the breakpoints in my debugger but ended up writing a pretty…  ( 7 min )

Are you aware if any companies actually use reinforcement learning for penetration testing on the market ? I have read several academic articles using RL for pen testing but I never heard of a company using it in the "real world". Is SOTA RL for pen testing ready to be deployed in the real world ? Are there examples ? submitted by /u/youneskamel2 [link] [comments]  ( 97 min )

I posted a prior version of my code before and got some good suggestions. I've modified my code and would highly appreciate some more feedback from the community. ​ I've held off from implementing the target network for now. I plan to add it soon. ​ #!/usr/bin/env python # coding: utf-8 # In[66]: # Here we import all libraries import numpy as np import gym import matplotlib.pyplot as plt import os import torch import random from torch import nn from torch.utils.data import DataLoader from torchvision import datasets, transforms from collections import deque import sys env = gym.make("CartPole-v0") # In[67]: #Hyperparameters episodes = 20000 eps = 1.0 learning_rate = 0.001 tot_rewards = [] tot_loss = [] decay_val = 0.0001 mem_size = 5000 batch_size = 100 gamma = 0.99 max_steps = 200 # I…  ( 88 min )

submitted by /u/seth141 [link] [comments]  ( 87 min )

What algorithms currently generalise to different lengths of the cartpole problem where the network can generalise to different cartpole lengths based on training of a single length submitted by /u/Cool_Abbreviations_9 [link] [comments]  ( 86 min )

I'm trying to implement Q Learning in a 4x4 Frozen lake environment. I need more than 25000 to start getting decent results. I tried with different hyperparameters and is always the same. This is common or I have something wrong with my Q Learning implementation? submitted by /u/Pipiyedu [link] [comments]  ( 87 min )

Evans Data Corp has an upcoming research study about PyTorch usage. If you are familiar with PyTorch and interested in participating in this study, please contact me to schedule a time to see if you qualify. Study participants receive compensation for a one-hour interview. submitted by /u/EvansData [link] [comments]  ( 87 min )

From my understanding VAEs are generally more stable and less prone to mode collapse compared to GANs, however they usually output fuzzy-looking images making GANs more popular despite being harder to train effectively. However I'm curious to know if someone has tried to apply to VAEs some of the techniques that work to improve GANs such as: A Projected encoder. A projected discriminator in GAN training has been shown to speed up convergence and lead to lower FID. I'd imagine that in the same way that the discriminator can make use of the pretrained features one could speed up the training of a VAE by feeding pretrained features to the encoder. Perceptual loss. I learned about the concept of a perceptual loss when reading the ESRGAN paper. In it the authors use high-level features extracted from a pretrained VGG network to improve the brightness and texture quality of the SRGAN model. Since using a perceptual loss helps improve the texture quality in SR models, I wonder if it'd also help in the same way with VAEs. Differentiable augmentation. The authors of the paper Differentiable Augmentation for Data-Efficient GAN Training proposed this method to prevent the discriminator from overfitting on the real dataset, so this might not be as useful for VAEs - nonetheless I do wonder if data augmentation for the encoder might help it generalize better when there's limited training data without leading to the decoder imitating the artifacts of image augmentation. I suppose I could try to implement these myself, but if someone has already done so and I can spare my Kaggle GPU hours that'd be great to know lol. Are there any other methods that you know of to help improve the fuzziness in VAEs? submitted by /u/Ragdoll_X_Furry [link] [comments]  ( 89 min )

I have a problem that I'm trying to solve using Expected utility theory, but haven't been able to come up with a proper way to calculate said utility. For reference, I am trying to solve my problem with the help of the Von Neumann–Morgenstern utility theorem. The idea is that I'll have an agent that needs to choose the best action, where each action has both a value and a risk (the probability the action will return the value). I can calculate the risk easily, my challenge has been with the value. These actions all involve multiple attributes; one possible solution is to define the value of these actions as a weighted sum of the value given by each attribute, and then, using hypothetical scenarios, have the stakeholders rank which actions are preferred. For example, let's say we have two actions: action1 = w1*v(a1_1) + w2*v(a1_2) + ... action2 = w1*v(a2_1) + w2*v(a2_2) + ... where w1, w2 are the weights that I need to find, and a1_1 is the value of the attribute 1 for action 1, and so forth (sorry for the bad formatting...) We can present the stakeholders with questions like: "in the example above, which action should the agent choose?". Based on the answers, I can create a list of expressions like this: action1 > action2 action2 > action3 action4 w1*v(a2_1) + w2*v(a2_2) + ... ..... As the individual values for each attribute can be calculated, I can then use this collection of expressions to try to find the values for the weights that satisfy said expressions. Does the approach above make sense? This is where I got stuck; I feel like there should be some pairwise ranking algorithms that can tackle this problem, but didn't have much luck searching online. All comments are appreciated! submitted by /u/Travolta1984 [link] [comments]  ( 114 min )

I'm using this https://colab.research.google.com/github/NielsRogge/Transformers-Tutorials/blob/master/LayoutLM/Add_image_embeddings_to_LayoutLM.ipynb#scrollTo=i_IR1xhWMwty to prepares the data but it lacks of entities as output. submitted by /u/nurigrf05 [link] [comments]  ( 112 min )

The paper “Neural Networks and the Chomsky Hierarchy “ laid out which architectures are best suited for language classes in the Chomsky Hierarchy. It puts the transformer architecture in type-3, the lowest class. Yet, all anyone is talking about in NLP are transformers. How come they are so successful if they can only tackle the basic language class? submitted by /u/sillyscienceguy [link] [comments]  ( 89 min )

Paper: https://www.pnas.org/doi/full/10.1073/pnas.2123433119 Github: https://github.com/idrori/mathQ Abstract: We demonstrate that a neural network pretrained on text and fine-tuned on code solves mathematics course problems, explains solutions, and generates questions at a human level. We automatically synthesize programs using few-shot learning and OpenAI’s Codex transformer and execute them to solve course problems at 81% automatic accuracy. We curate a dataset of questions from Massachusetts Institute of Technology (MIT)’s largest mathematics courses (Single Variable and Multivariable Calculus, Differential Equations, Introduction to Probability and Statistics, Linear Algebra, and Mathematics for Computer Science) and Columbia University’s Computational Linear Algebra. We solve qu…  ( 89 min )

Paper: https://arxiv.org/abs/2207.09238 Abstract: This document aims to be a self-contained, mathematically precise overview of transformer architectures and algorithms (*not* results). It covers what transformers are, how they are trained, what they are used for, their key architectural components, and a preview of the most prominent models. The reader is assumed to be familiar with basic ML terminology and simpler neural network architectures such as MLPs. ​ https://preview.redd.it/h53zcmn4nxf91.jpg?width=596&format=pjpg&auto=webp&s=86bb06604f6987379392d97324357f2ea5b19ac2 submitted by /u/Singularian2501 [link] [comments]  ( 87 min )

Here's a link to the post. As an aside, I'm Varun, CEO at Exafunction. We help companies do deep learning efficiently at scale. We're excited to start sharing the best practices for using GPUs that we've learned working at cutting edge deep learning companies in the past and with our current customers. Would love if you had any suggestions for deep dives we could do. submitted by /u/varunkmohan [link] [comments]  ( 89 min )

Meta released a Conversational AI bot and claimed it is PUBLICLY available, while it is not public and the access is region based! So far, people from France, Canada, and more countries have reported restricted access! https://geo-not-available.blenderbot.ai/ https://ibb.co/f15yJRb submitted by /u/aifordummies [link] [comments]  ( 113 min )

Hi ML and RecSys folks! We are launching EvalRS, a novel competition for a rounded evaluation of Recommender Systems, hosted at the next CIKM conference! Website | Slack | Official Repository Well well. The challenge is super novel (and cool) because we will test models beyond standard metrics, exploring fairness and behavioral tests (details in the paper). And I could stop here. Instead: Remember all the boring stuff like downloading the data, running local evaluations, preparing submission files, etc.? We got you covered: our code handles everything for you! You’ll only need to provide us with a model. We prepared a ton of material to get you started! In the repo, you will find detailed descriptions about every little bit of the challenge and pre-made notebooks with baselines and EDA on the dataset. A Kaggle notebook guides you through the challenge and lets you even solve it! System papers will be part of a series of Proceeding, and there will be a workshop at CIKM where the best systems will present their solution. There will be money 💸 prizes for winning teams and online free registrations for the best student submissions. The competition just started 😎 and will go on for the next two months (but beware, the first phase closes on the 31st of August). We are so thrilled to receive your innovative solutions. And do not hesitate to join our Slack to stay posted! submitted by /u/peppeatta [link] [comments]  ( 127 min )

We did an episode with Hod Lipson & Boyuan Chen on self-modeling of robot morphologies and sentient machines. I hope you may find it useful Podcast Link: Video: https://youtu.be/vR-5w7i2on8 Audio: https://soundcloud.com/ieeeras-softrobotics/hod-lipson-boyuan-chen-self-modeling-of-robot-morphologies?utm_source=clipboard&utm_medium=text&utm_campaign=social_sharing submitted by /u/meldiwin [link] [comments]  ( 87 min )

The biggest pain points when researching a product online are: Google results full of SEO spam and Ads Fake reviews Fragmented trusted sources Inconsistent information across source To get trustworthy reviews, many people are adding "reddit" to their search queries. The challenges here are: Many duplicate posts/requests Bad search Scattered information Wiki/Collections are hard to keep up-to-date To solve these issues, we launched Looria. We fine-tuned a BERT model to detect product mentions in Reddit comments and posts with Named Entity Recognition (NER). The result is a list of the most mentioned products across many subreddits. https://preview.redd.it/gvujsnzdkwf91.png?width=2834&format=png&auto=webp&s=07c4485265cb996fc5633c9896f41c27e382943e https://preview.redd.it/z20zeufjkwf91.png?width=2834&format=png&auto=webp&s=a499e5b4d9cb5984ffebfecefc94d1f6d5285e63 submitted by /u/madredditscientist [link] [comments]  ( 91 min )

Hey Guys, I hope that this post is not OT. I am a grad student and in this September I will attend EWRL2022. It is my first time at these kind of events and I have no idea on what to do. Do you have some general advices to get the best out of this experience? Thank you in advance. submitted by /u/Dear-Vehicle-3215 [link] [comments]  ( 89 min )

How many papers I have read that have explicitly mentioned that their dataset and/or code is available for public use but in practice they rarely if ever actually are. Most of the time they don’t have a publicly available link and expect you to mail them, in which case too they reply maybe once for every ten papers. It’s one thing to not want to make it open source and it’s another to make the claim that is verifiable false. So often do I want to put a complaint against them but I relent because what if they are the reviewers for my next paper? Of course I don’t want to hurt my chances for future publication. It’s a vicious cycle that doesn’t have a fix and it causes so much irritation and pain. submitted by /u/fireless-phoenix [link] [comments]  ( 99 min )

Not really a discussion post, I remember an article which used GANs to generate continuous views of landscape, as if you were on a plane discovering the landscapes, but I didn't manage to find it back. I think the paper is from 2021/2020 and likely from NVidia Does anyone remember it ? Or maybe the name of the task ? submitted by /u/Silver_Doughnut_8175 [link] [comments]  ( 113 min )

Hello wonderful people, I just wanted to gather some feedback on some methods that you could potentially use to turn a stochastic model into a deterministic one. Any help is greatly appreciated, thanks! submitted by /u/ChicChanel [link] [comments]  ( 87 min )

We're working on some projects involving AI on the edge and targeting low-power devices (think of things that can run for years on a battery). It seems to be a pretty tricky combination of skills to recruit for. Maybe people with EE degrees who have moved on the machine learning would be a good fit? Where should we look for these kinds of people? Or should we focus on finding machine learning experts who can build the models and couple them with people with expertise in the embedded world? submitted by /u/iamflimflam1 [link] [comments]  ( 88 min )

Has anybody tried to deliberately train GANs on white noise? I mean that the target images themselves look like noise. Do GANs converge in such case? Are there any interesting insights to learn from that? White noise is an extremely simple probability distribution so if GANs failed to converge on it, that would show an interesting limitation of the model. submitted by /u/alagris12358 [link] [comments]  ( 88 min )

These papers indicate that when a large model is trained on a small dataset for a very long time, the test loss first goes down, then up when it overfits, but eventually back down even lower, and the model generalizes correctly. Do people take advantage of this in practice to get good, generalized models on small datasets? Do people often train longer now in order to get better models? Or has this not caught on in practice for some reason? Double descent: https://arxiv.org/abs/1912.02292 Grokking: https://arxiv.org/abs/2201.02177 submitted by /u/user_-- [link] [comments]  ( 90 min )

Are any reviewers responding to the rebuttals? Given the author discussion ends on 9th, when should be the right time to nudge the reviewers in case they are unresponsive? submitted by /u/Successful_Abies_572 [link] [comments]  ( 90 min )

Recently, language models in the open source community have exploded which has gave lots of people different options when integrating them into their backend. Overall a very positive step in the right direction. One problem however is that when you have a model north of 1 billion parameters, the amount of people who can actually run these models goes down significantly. Outside of large tech companies or well funded groups, I’m not sure if there’s anyone else who could actually run BLOOM or OPT, which are both 100 billion parameter+ models. In practice, this hasn’t really democratized anything. Instead, wouldn’t it be more beneficial to the mass audience to have both: A hosted version of the model for a fee that comes without restrictions (or modest restrictions) An open source version for people who can afford to run the models themselves Is this a better solution to “democratizing” language models? submitted by /u/holamyeung [link] [comments]  ( 87 min )

submitted by /u/Nefir [link] [comments]  ( 86 min )

Here is the link to the repo https://github.com/Shreyz-max/Doodle-to-Image-Generator submitted by /u/Shreya001 [link] [comments]  ( 86 min )

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Contrary to humans, machine learning models find it incredibly challenging to handle problems involving differential equations, linear algebra, and multivariable calculus. Even the most advanced models can only answer math problems at the elementary or high school level, and they do not always come up with the correct answers. An MIT multidisciplinary research team has created a neural network model that can quickly and accurately answer college-level arithmetic problems. The model may also automatically explain solutions in university math courses and quickly produce new issues. University students were then given the computer-generated questions to test, and they could not determine whether an algorithm or a human-produced the questions. The study has also been published in the National Academy of Sciences Proceedings. Researchers believe their work can be utilized to expedite the creation of course content for extensive residential courses and massive open online courses (MOOCs) with thousands of students. The program could also serve as an automated tutor that demonstrates to pupils how to solve problems in college mathematics. The team believes that by helping teachers to comprehend the connection between courses and their prerequisites, their approach has the potential to enhance higher education. For more than two years, the model has been steadily evolving. In the beginning, the researchers saw that models pretrained using only text could not provide a high accuracy on high school math problems. In contrast, those employing graph neural networks could but would require more extended training periods. Continue reading | Checkout the paper and reference article. submitted by /u/ai-lover [link] [comments]  ( 93 min )

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There are a few episodes of Attack on Titan that never came out in English. I've gotten about 30 minutes of isolated dialogue from each character and am praying someone knows of a TTS I can use. tortoise-tts won't work because it uses it's own voices as a base so everyone comes out with a british accent. And other entities with their TTS such as google or describe likely aren't going to let me use the copyrighted material. If anyone knows something that can pull this off you'd be a godsend. submitted by /u/outstandingowl [link] [comments]  ( 93 min )

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What are some Interesting problems you have solved using AI ? submitted by /u/Weary_Word_5262 [link] [comments]  ( 86 min )

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One of the most fascinating things about virtual reality (VR) is the way it has evolved over time. You may have tried some basic 3D…  ( 8 min )

Three techniques to process text: TFIDF, word2vector trained on our data, Gensim w2v — Natural language processing (NLP)  ( 17 min )

While batch normalization has long been argued to increase adversarial vulnerability, it is still used in state-of-the-art adversarial training models. This is likely because of easier training and increased expressiveness. At the same time, recent papers argue that adversarial examples are partly caused by fragile features caused by learning spurious correlations. In this paper, we study the impact of batch normalization on utilizing these fragile features for robustness by fine-tuning only the batch normalization layers. The post ICML 2022 Art of Robustness Paper “On Fragile Features and Batch Normalization in Adversarial Training” appeared first on David Stutz.  ( 3 min )

Given a random variable X, you often want to compute the probability that X will take on a value less than x or greater than x. Define the functions FX(x) = Prob(X ≤ x) and GX(x) = Prob(X > x) What do you call F and G? I tend to call them the CDF (cumulative […] Naming probability functions first appeared on John D. Cook.  ( 5 min )

Let f be a monotone, strictly convex function on a real interval I and let g be its inverse. For example, we could have f(x) = ex and g(x) = log x. Now suppose we round our results to N digits. That is, instead of working with f and g we actually work with fN […] Floating point inverses and stability first appeared on John D. Cook.  ( 6 min )

3D content creators are clamoring for NVIDIA Instant NeRF, an inverse rendering tool that turns a set of static images into a realistic 3D scene. Since its debut earlier this year, tens of thousands of developers around the world have downloaded the source code and used it to render spectacular scenes, sharing eye-catching results on Read article > The post NVIDIA Instant NeRF Wins Best Paper at SIGGRAPH, Inspires Creative Wave Amid Tens of Thousands of Downloads appeared first on NVIDIA Blog.  ( 7 min )

Knowledge graphs are an expressive and widely used data structure due to their ability to integrate data from different domains in a sensible and machine-readable way. Thus, they can be used to model a variety of systems such as molecules and social networks. However, it still remains an open question how symbolic reasoning could be realized in spiking systems and, therefore, how spiking neural networks could be applied to such graph data. Here, we extend previous work on spike-based graph algorithms by demonstrating how symbolic and multi-relational information can be encoded using spiking neurons, allowing reasoning over symbolic structures like knowledge graphs with spiking neural networks. The introduced framework is enabled by combining the graph embedding paradigm and the recent progress in training spiking neural networks using error backpropagation. The presented methods are applicable to a variety of spiking neuron models and can be trained end-to-end in combination with other differentiable network architectures, which we demonstrate by implementing a spiking relational graph neural network.  ( 2 min )

Spatial redundancy widely exists in visual recognition tasks, i.e., discriminative features in an image or video frame usually correspond to only a subset of pixels, while the remaining regions are irrelevant to the task at hand. Therefore, static models which process all the pixels with an equal amount of computation result in considerable redundancy in terms of time and space consumption. In this paper, we formulate the image recognition problem as a sequential coarse-to-fine feature learning process, mimicking the human visual system. Specifically, the proposed Glance and Focus Network (GFNet) first extracts a quick global representation of the input image at a low resolution scale, and then strategically attends to a series of salient (small) regions to learn finer features. The sequential process naturally facilitates adaptive inference at test time, as it can be terminated once the model is sufficiently confident about its prediction, avoiding further redundant computation. It is worth noting that the problem of locating discriminant regions in our model is formulated as a reinforcement learning task, thus requiring no additional manual annotations other than classification labels. GFNet is general and flexible as it is compatible with any off-the-shelf backbone models (such as MobileNets, EfficientNets and TSM), which can be conveniently deployed as the feature extractor. Extensive experiments on a variety of image classification and video recognition tasks and with various backbone models demonstrate the remarkable efficiency of our method. For example, it reduces the average latency of the highly efficient MobileNet-V3 on an iPhone XS Max by 1.3x without sacrificing accuracy. Code and pre-trained models are available at https://github.com/blackfeather-wang/GFNet-Pytorch.  ( 3 min )

Message passing neural networks (MPNN) have seen a steep rise in popularity since their introduction as generalizations of convolutional neural networks to graph-structured data, and are now considered state-of-the-art tools for solving a large variety of graph-focused problems. We study the generalization error of MPNNs in graph classification and regression. We assume that graphs of different classes are sampled from different random graph models. We show that, when training a MPNN on a dataset sampled from such a distribution, the generalization gap increases in the complexity of the MPNN, and decreases, not only with respect to the number of training samples, but also with the average number of nodes in the graphs. This shows how a MPNN with high complexity can generalize from a small dataset of graphs, as long as the graphs are large. The generalization bound is derived from a uniform convergence result, that shows that any MPNN, applied on a graph, approximates the MPNN applied on the geometric model that the graph discretizes.  ( 3 min )

The R package DoubleML implements the double/debiased machine learning framework of Chernozhukov et al. (2018). It provides functionalities to estimate parameters in causal models based on machine learning methods. The double machine learning framework consist of three key ingredients: Neyman orthogonality, high-quality machine learning estimation and sample splitting. Estimation of nuisance components can be performed by various state-of-the-art machine learning methods that are available in the mlr3 ecosystem. DoubleML makes it possible to perform inference in a variety of causal models, including partially linear and interactive regression models and their extensions to instrumental variable estimation. The object-oriented implementation of DoubleML enables a high flexibility for the model specification and makes it easily extendable. This paper serves as an introduction to the double machine learning framework and the R package DoubleML. In reproducible code examples with simulated and real data sets, we demonstrate how DoubleML users can perform valid inference based on machine learning methods.  ( 2 min )

In most applications of model-based Markov decision processes, the parameters for the unknown underlying model are often estimated from the empirical data. Due to noise, the policy learnedfrom the estimated model is often far from the optimal policy of the underlying model. When applied to the environment of the underlying model, the learned policy results in suboptimal performance, thus calling for solutions with better generalization performance. In this work we take a Bayesian perspective and regularize the objective function of the Markov decision process with prior information in order to obtain more robust policies. Two approaches are proposed, one based on $L^1$ regularization and the other on relative entropic regularization. We evaluate our proposed algorithms on synthetic simulations and on real-world search logs of a large scale online shopping store. Our results demonstrate the robustness of regularized MDP policies against the noise present in the models.  ( 2 min )

Representation learning algorithms offer the opportunity to learn invariant representations of the input data with regard to nuisance factors. Many authors have leveraged such strategies to learn fair representations, i.e., vectors where information about sensitive attributes is removed. These methods are attractive as they may be interpreted as minimizing the mutual information between a neural layer's activations and a sensitive attribute. However, the theoretical grounding of such methods relies either on the computation of infinitely accurate adversaries or on minimizing a variational upper bound of a mutual information estimate. In this paper, we propose a methodology for direct computation of the mutual information between a neural layer and a sensitive attribute. We employ stochastically-activated binary neural networks, which lets us treat neurons as random variables. We are then able to compute (not bound) the mutual information between a layer and a sensitive attribute and use this information as a regularization factor during gradient descent. We show that this method compares favorably with the state of the art in fair representation learning and that the learned representations display a higher level of invariance compared to full-precision neural networks.  ( 2 min )

The discovery of patient-specific imaging markers that are predictive of future disease outcomes can help us better understand individual-level heterogeneity of disease evolution. In fact, deep learning models that can provide data-driven personalized markers are much more likely to be adopted in medical practice. In this work, we demonstrate that data-driven biomarker discovery can be achieved through a counterfactual synthesis process. We show how a deep conditional generative model can be used to perturb local imaging features in baseline images that are pertinent to subject-specific future disease evolution and result in a counterfactual image that is expected to have a different future outcome. Candidate biomarkers, therefore, result from examining the set of features that are perturbed in this process. Through several experiments on a large-scale, multi-scanner, multi-center multiple sclerosis (MS) clinical trial magnetic resonance imaging (MRI) dataset of relapsing-remitting (RRMS) patients, we demonstrate that our model produces counterfactuals with changes in imaging features that reflect established clinical markers predictive of future MRI lesional activity at the population level. Additional qualitative results illustrate that our model has the potential to discover novel and subject-specific predictive markers of future activity.  ( 3 min )

This work establishes low test error of gradient flow (GF) and stochastic gradient descent (SGD) on two-layer ReLU networks with standard initialization, in three regimes where key sets of weights rotate little (either naturally due to GF and SGD, or due to an artificial constraint), and making use of margins as the core analytic technique. The first regime is near initialization, specifically until the weights have moved by $\mathcal{O}(\sqrt m)$, where $m$ denotes the network width, which is in sharp contrast to the $\mathcal{O}(1)$ weight motion allowed by the Neural Tangent Kernel (NTK); here it is shown that GF and SGD only need a network width and number of samples inversely proportional to the NTK margin, and moreover that GF attains at least the NTK margin itself, which suffices to establish escape from bad KKT points of the margin objective, whereas prior work could only establish nondecreasing but arbitrarily small margins. The second regime is the Neural Collapse (NC) setting, where data lies in extremely-well-separated groups, and the sample complexity scales with the number of groups; here the contribution over prior work is an analysis of the entire GF trajectory from initialization. Lastly, if the inner layer weights are constrained to change in norm only and can not rotate, then GF with large widths achieves globally maximal margins, and its sample complexity scales with their inverse; this is in contrast to prior work, which required infinite width and a tricky dual convergence assumption. As purely technical contributions, this work develops a variety of potential functions and other tools which will hopefully aid future work.  ( 3 min )

Despite recent advances in natural language understanding and generation, and decades of research on the development of conversational bots, building automated agents that can carry on rich open-ended conversations with humans "in the wild" remains a formidable challenge. In this work we develop a real-time, open-ended dialogue system that uses reinforcement learning (RL) to power a bot's conversational skill at scale. Our work pairs the succinct embedding of the conversation state generated using SOTA (supervised) language models with RL techniques that are particularly suited to a dynamic action space that changes as the conversation progresses. Trained using crowd-sourced data, our novel system is able to substantially exceeds the (strong) baseline supervised model with respect to several metrics of interest in a live experiment with real users of the Google Assistant.  ( 2 min )

High-dimensional and incomplete (HDI) data holds tremendous interactive information in various industrial applications. A latent factor (LF) model is remarkably effective in extracting valuable information from HDI data with stochastic gradient decent (SGD) algorithm. However, an SGD-based LFA model suffers from slow convergence since it only considers the current learning error. To address this critical issue, this paper proposes a Nonlinear PID-enhanced Adaptive Latent Factor (NPALF) model with two-fold ideas: 1) rebuilding the learning error via considering the past learning errors following the principle of a nonlinear PID controller; b) implementing all parameters adaptation effectively following the principle of a particle swarm optimization (PSO) algorithm. Experience results on four representative HDI datasets indicate that compared with five state-of-the-art LFA models, the NPALF model achieves better convergence rate and prediction accuracy for missing data of an HDI data.  ( 2 min )

Bi-level optimization, especially the gradient-based category, has been widely used in the deep learning community including hyperparameter optimization and meta knowledge extraction. Bi-level optimization embeds one problem within another and the gradient-based category solves the outer level task by computing the hypergradient, which is much more efficient than classical methods such as the evolutionary algorithm. In this survey, we first give a formal definition of the gradient-based bi-level optimization. Secondly, we illustrate how to formulate a research problem as a bi-level optimization problem, which is of great practical use for beginners. More specifically, there are two formulations: the single-task formulation to optimize hyperparameters such as regularization parameters and the distilled data, and the multi-task formulation to extract meta knowledge such as the model initialization. With a bi-level formulation, we then discuss four bi-level optimization solvers to update the outer variable including explicit gradient update, proxy update, implicit function update, and closed-form update. Last but not least, we conclude the survey by pointing out the great potential of gradient-based bi-level optimization on science problems (AI4Science).  ( 2 min )

Deep learning models are increasingly deployed in real-world applications. These models are often deployed on the server-side and receive user data in an information-rich representation to solve a specific task, such as image classification. Since images can contain sensitive information, which users might not be willing to share, privacy protection becomes increasingly important. Adversarial Representation Learning (ARL) is a common approach to train an encoder that runs on the client-side and obfuscates an image. It is assumed, that the obfuscated image can safely be transmitted and used for the task on the server without privacy concerns. However, in this work, we find that training a reconstruction attacker can successfully recover the original image of existing ARL methods. To this end, we introduce a novel ARL method enhanced through low-pass filtering, limiting the available information amount to be encoded in the frequency domain. Our experimental results reveal that our approach withstands reconstruction attacks while outperforming previous state-of-the-art methods regarding the privacy-utility trade-off. We further conduct a user study to qualitatively assess our defense of the reconstruction attack.  ( 2 min )

The goal of a sequential decision making problem is to design an interactive policy that adaptively selects a group of items, each selection is based on the feedback from the past, in order to maximize the expected utility of selected items. It has been shown that the utility functions of many real-world applications are adaptive submodular. However, most of existing studies on adaptive submodular optimization focus on the average-case. Unfortunately, a policy that has a good average-case performance may have very poor performance under the worst-case realization. In this study, we propose to study two variants of adaptive submodular optimization problems, namely, worst-case adaptive submodular maximization and robust submodular maximization. The first problem aims to find a policy that maximizes the worst-case utility and the latter one aims to find a policy, if any, that achieves both near optimal average-case utility and worst-case utility simultaneously. We introduce a new class of stochastic functions, called \emph{worst-case submodular function}. For the worst-case adaptive submodular maximization problem subject to a $p$-system constraint, we develop an adaptive worst-case greedy policy that achieves a $\frac{1}{p+1}$ approximation ratio against the optimal worst-case utility if the utility function is worst-case submodular. For the robust adaptive submodular maximization problem subject to cardinality constraints (resp. partition matroid constraints), if the utility function is both worst-case submodular and adaptive submodular, we develop a hybrid adaptive policy that achieves an approximation close to $1-e^{-\frac{1}{2}}$ (resp. $1/3$) under both worst- and average-case settings simultaneously. We also describe several applications of our theoretical results, including pool-base active learning, stochastic submodular set cover and adaptive viral marketing.  ( 3 min )

Federated learning (FL) has attracted growing interest for enabling privacy-preserving machine learning on data stored at multiple users while avoiding moving the data off-device. However, while data never leaves users' devices, privacy still cannot be guaranteed since significant computations on users' training data are shared in the form of trained local models. These local models have recently been shown to pose a substantial privacy threat through different privacy attacks such as model inversion attacks. As a remedy, Secure Aggregation (SA) has been developed as a framework to preserve privacy in FL, by guaranteeing the server can only learn the global aggregated model update but not the individual model updates. While SA ensures no additional information is leaked about the individual model update beyond the aggregated model update, there are no formal guarantees on how much privacy FL with SA can actually offer; as information about the individual dataset can still potentially leak through the aggregated model computed at the server. In this work, we perform a first analysis of the formal privacy guarantees for FL with SA. Specifically, we use Mutual Information (MI) as a quantification metric and derive upper bounds on how much information about each user's dataset can leak through the aggregated model update. When using the FedSGD aggregation algorithm, our theoretical bounds show that the amount of privacy leakage reduces linearly with the number of users participating in FL with SA. To validate our theoretical bounds, we use an MI Neural Estimator to empirically evaluate the privacy leakage under different FL setups on both the MNIST and CIFAR10 datasets. Our experiments verify our theoretical bounds for FedSGD, which show a reduction in privacy leakage as the number of users and local batch size grow, and an increase in privacy leakage with the number of training rounds.  ( 3 min )

Traditional model-based reinforcement learning (RL) methods generate forward rollout traces using the learnt dynamics model to reduce interactions with the real environment. The recent model-based RL method considers the way to learn a backward model that specifies the conditional probability of the previous state given the previous action and the current state to additionally generate backward rollout trajectories. However, in this type of model-based method, the samples derived from backward rollouts and those from forward rollouts are simply aggregated together to optimize the policy via the model-free RL algorithm, which may decrease both the sample efficiency and the convergence rate. This is because such an approach ignores the fact that backward rollout traces are often generated starting from some high-value states and are certainly more instructive for the agent to improve the behavior. In this paper, we propose the backward imitation and forward reinforcement learning (BIFRL) framework where the agent treats backward rollout traces as expert demonstrations for the imitation of excellent behaviors, and then collects forward rollout transitions for policy reinforcement. Consequently, BIFRL empowers the agent to both reach to and explore from high-value states in a more efficient manner, and further reduces the real interactions, making it potentially more suitable for real-robot learning. Moreover, a value-regularized generative adversarial network is introduced to augment the valuable states which are infrequently received by the agent. Theoretically, we provide the condition where BIFRL is superior to the baseline methods. Experimentally, we demonstrate that BIFRL acquires the better sample efficiency and produces the competitive asymptotic performance on various MuJoCo locomotion tasks compared against state-of-the-art model-based methods.  ( 3 min )

This work summarizes the IJCB Occluded Face Recognition Competition 2022 (IJCB-OCFR-2022) embraced by the 2022 International Joint Conference on Biometrics (IJCB 2022). OCFR-2022 attracted a total of 3 participating teams, from academia. Eventually, six valid submissions were submitted and then evaluated by the organizers. The competition was held to address the challenge of face recognition in the presence of severe face occlusions. The participants were free to use any training data and the testing data was built by the organisers by synthetically occluding parts of the face images using a well-known dataset. The submitted solutions presented innovations and performed very competitively with the considered baseline. A major output of this competition is a challenging, realistic, and diverse, and publicly available occluded face recognition benchmark with well defined evaluation protocols.  ( 2 min )

This paper presents a novel method, called Modular Grammatical Evolution (MGE), towards validating the hypothesis that restricting the solution space of NeuroEvolution to modular and simple neural networks enables the efficient generation of smaller and more structured neural networks while providing acceptable (and in some cases superior) accuracy on large data sets. MGE also enhances the state-of-the-art Grammatical Evolution (GE) methods in two directions. First, MGE's representation is modular in that each individual has a set of genes, and each gene is mapped to a neuron by grammatical rules. Second, the proposed representation mitigates two important drawbacks of GE, namely the low scalability and weak locality of representation, towards generating modular and multi-layer networks with a high number of neurons. We define and evaluate five different forms of structures with and without modularity using MGE and find single-layer modules with no coupling more productive. Our experiments demonstrate that modularity helps in finding better neural networks faster. We have validated the proposed method using ten well-known classification benchmarks with different sizes, feature counts, and output class count. Our experimental results indicate that MGE provides superior accuracy with respect to existing NeuroEvolution methods and returns classifiers that are significantly simpler than other machine learning generated classifiers. Finally, we empirically demonstrate that MGE outperforms other GE methods in terms of locality and scalability properties.  ( 3 min )

Defects increase the cost and duration of construction projects. Automating defect detection would reduce documentation efforts that are necessary to decrease the risk of defects delaying construction projects. Since concrete is a widely used construction material, this work focuses on detecting honeycombs, a substantial defect in concrete structures that may even affect structural integrity. First, images were compared that were either scraped from the web or obtained from actual practice. The results demonstrate that web images represent just a selection of honeycombs and do not capture the complete variance. Second, Mask R-CNN and EfficientNet-B0 were trained for honeycomb detection to evaluate instance segmentation and patch-based classification, respectively achieving 47.7% precision and 34.2% recall as well as 68.5% precision and 55.7% recall. Although the performance of those models is not sufficient for completely automated defect detection, the models could be used for active learning integrated into defect documentation systems. In conclusion, CNNs can assist detecting honeycombs in concrete.  ( 2 min )

Visually evaluating the goodness of generated Multivariate Time Series (MTS) are difficult to implement, especially in the case that the generative model is Generative Adversarial Networks (GANs). We present a general framework named Gaussian GANs to visually evaluate GANs using itself under the MTS generation task. Firstly, we attempt to find the transformation function in the multivariate Kolmogorov Smirnov (MKS) test by explicitly reconstructing the architecture of GANs. Secondly, we conduct the normality test of transformed MST where the Gaussian GANs serves as the transformation function in the MKS test. In order to simplify the normality test, an efficient visualization is proposed using the chi square distribution. In the experiment, we use the UniMiB dataset and provide empirical evidence showing that the normality test using Gaussian GANs and chi sqaure visualization is effective and credible.  ( 2 min )

We provide a decision theoretic analysis of bandit experiments. Working within the framework of diffusion asymptotics, we define suitable notions of asymptotic Bayes and minimax risk for these experiments. For normally distributed rewards, the minimal Bayes risk can be characterized as the solution to a second-order partial differential equation (PDE). Using a limit of experiments approach, we show that this PDE characterization also holds asymptotically under both parametric and non-parametric distributions of the rewards. The approach further describes the state variables it is asymptotically sufficient to restrict attention to, and thereby suggests a practical strategy for dimension reduction. The PDEs characterizing minimal Bayes risk can be solved efficiently using sparse matrix routines. We derive the optimal Bayes and minimax policies from their numerical solutions. These optimal policies substantially dominate existing methods such as Thompson sampling and UCB, often by a factor of two. The framework also covers time discounting and pure exploration.

Data-centric AI is at the center of a fundamental shift in software engineering where machine learning becomes the new software, powered by big data and computing infrastructure. Here software engineering needs to be re-thought where data becomes a first-class citizen on par with code. One striking observation is that a significant portion of the machine learning process is spent on data preparation. Without good data, even the best machine learning algorithms cannot perform well. As a result, data-centric AI practices are now becoming mainstream. Unfortunately, many datasets in the real world are small, dirty, biased, and even poisoned. In this survey, we study the research landscape for data collection and data quality primarily for deep learning applications. Data collection is important because there is lesser need for feature engineering for recent deep learning approaches, but instead more need for large amounts of data. For data quality, we study data validation, cleaning, and integration techniques. Even if the data cannot be fully cleaned, we can still cope with imperfect data during model training using robust model training techniques. In addition, while bias and fairness have been less studied in traditional data management research, these issues become essential topics in modern machine learning applications. We thus study fairness measures and unfairness mitigation techniques that can be applied before, during, or after model training. We believe that the data management community is well poised to solve these problems.

Implicit Neural Representations (INRs) have emerged and shown their benefits over discrete representations in recent years. However, fitting an INR to the given observations usually requires optimization with gradient descent from scratch, which is inefficient and does not generalize well with sparse observations. To address this problem, most of the prior works train a hypernetwork that generates a single vector to modulate the INR weights, where the single vector becomes an information bottleneck that limits the reconstruction precision of the output INR. Recent work shows that the whole set of weights in INR can be precisely inferred without the single-vector bottleneck by gradient-based meta-learning. Motivated by a generalized formulation of gradient-based meta-learning, we propose a formulation that uses Transformers as hypernetworks for INRs, where it can directly build the whole set of INR weights with Transformers specialized as set-to-set mapping. We demonstrate the effectiveness of our method for building INRs in different tasks and domains, including 2D image regression and view synthesis for 3D objects. Our work draws connections between the Transformer hypernetworks and gradient-based meta-learning algorithms and we provide further analysis for understanding the generated INRs. The project page with code is at \url{https://yinboc.github.io/trans-inr/} .

Machine learning based malware detection techniques rely on grayscale images of malware and tends to classify malware based on the distribution of textures in graycale images. Albeit the advancement and promising results shown by machine learning techniques, attackers can exploit the vulnerabilities by generating adversarial samples. Adversarial samples are generated by intelligently crafting and adding perturbations to the input samples. There exists majority of the software based adversarial attacks and defenses. To defend against the adversaries, the existing malware detection based on machine learning and grayscale images needs a preprocessing for the adversarial data. This can cause an additional overhead and can prolong the real-time malware detection. So, as an alternative to this, we explore RRAM (Resistive Random Access Memory) based defense against adversaries. Therefore, the aim of this thesis is to address the above mentioned critical system security issues. The above mentioned challenges are addressed by demonstrating proposed techniques to design a secure and robust cognitive system. First, a novel technique to detect stealthy malware is proposed. The technique uses malware binary images and then extract different features from the same and then employ different ML-classifiers on the dataset thus obtained. Results demonstrate that this technique is successful in differentiating classes of malware based on the features extracted. Secondly, I demonstrate the effects of adversarial attacks on a reconfigurable RRAM-neuromorphic architecture with different learning algorithms and device characteristics. I also propose an integrated solution for mitigating the effects of the adversarial attack using the reconfigurable RRAM architecture.

We investigate nonlinear prediction in an online setting and introduce a hybrid model that effectively mitigates, via an end-to-end architecture, the need for hand-designed features and manual model selection issues of conventional nonlinear prediction/regression methods. In particular, we use recursive structures to extract features from sequential signals, while preserving the state information, i.e., the history, and boosted decision trees to produce the final output. The connection is in an end-to-end fashion and we jointly optimize the whole architecture using stochastic gradient descent, for which we also provide the backward pass update equations. In particular, we employ a recurrent neural network (LSTM) for adaptive feature extraction from sequential data and a gradient boosting machinery (soft GBDT) for effective supervised regression. Our framework is generic so that one can use other deep learning architectures for feature extraction (such as RNNs and GRUs) and machine learning algorithms for decision making as long as they are differentiable. We demonstrate the learning behavior of our algorithm on synthetic data and the significant performance improvements over the conventional methods over various real life datasets. Furthermore, we openly share the source code of the proposed method to facilitate further research.

Recent analyses of self-supervised learning (SSL) find the following data-centric properties to be critical for learning good representations: invariance to task-irrelevant semantics, separability of classes in some latent space, and recoverability of labels from augmented samples. However, given their discrete, non-Euclidean nature, graph datasets and graph SSL methods are unlikely to satisfy these properties. This raises the question: how do graph SSL methods, such as contrastive learning (CL), work well? To systematically probe this question, we perform a generalization analysis for CL when using generic graph augmentations (GGAs), with a focus on data-centric properties. Our analysis yields formal insights into the limitations of GGAs and the necessity of task-relevant augmentations. As we empirically show, GGAs do not induce task-relevant invariances on common benchmark datasets, leading to only marginal gains over naive, untrained baselines. Our theory motivates a synthetic data generation process that enables control over task-relevant information and boasts pre-defined optimal augmentations. This flexible benchmark helps us identify yet unrecognized limitations in advanced augmentation techniques (e.g., automated methods). Overall, our work rigorously contextualizes, both empirically and theoretically, the effects of data-centric properties on augmentation strategies and learning paradigms for graph SSL.

The Mixture-of-Experts (MoE) layer, a sparsely-activated model controlled by a router, has achieved great success in deep learning. However, the understanding of such architecture remains elusive. In this paper, we formally study how the MoE layer improves the performance of neural network learning and why the mixture model will not collapse into a single model. Our empirical results suggest that the cluster structure of the underlying problem and the non-linearity of the expert are pivotal to the success of MoE. To further understand this, we consider a challenging classification problem with intrinsic cluster structures, which is hard to learn using a single expert. Yet with the MoE layer, by choosing the experts as two-layer nonlinear convolutional neural networks (CNNs), we show that the problem can be learned successfully. Furthermore, our theory shows that the router can learn the cluster-center features, which helps divide the input complex problem into simpler linear classification sub-problems that individual experts can conquer. To our knowledge, this is the first result towards formally understanding the mechanism of the MoE layer for deep learning.

The task of information retrieval is an important component of many natural language processing systems, such as open domain question answering. While traditional methods were based on hand-crafted features, continuous representations based on neural networks recently obtained competitive results. A challenge of using such methods is to obtain supervised data to train the retriever model, corresponding to pairs of query and support documents. In this paper, we propose a technique to learn retriever models for downstream tasks, inspired by knowledge distillation, and which does not require annotated pairs of query and documents. Our approach leverages attention scores of a reader model, used to solve the task based on retrieved documents, to obtain synthetic labels for the retriever. We evaluate our method on question answering, obtaining state-of-the-art results.

Bayesian Optimization is a methodology for global optimization of unknown and expensive objectives. It combines a surrogate Bayesian regression model with an acquisition function to decide where to evaluate the objective. Typical regression models are Gaussian processes with stationary covariance functions, which, however, are unable to express prior input-dependent information, in particular information about possible locations of the optimum. The ubiquity of stationary models has led to the common practice of exploiting prior information via informative mean functions. In this paper, we highlight that these models can lead to poor performance, especially in high dimensions. We propose novel informative covariance functions that leverage nonstationarity to encode preferences for certain regions of the search space and adaptively promote local exploration during the optimization. We demonstrate that they can increase the sample efficiency of the optimization in high dimensions, even under weak prior information.

Climate change is increasing the frequency and severity of harmful algal blooms (HABs), which cause significant fish deaths in aquaculture farms. This contributes to ocean pollution and greenhouse gas (GHG) emissions since dead fish are either dumped into the ocean or taken to landfills, which in turn negatively impacts the climate. Currently, the standard method to enumerate harmful algae and other phytoplankton is to manually observe and count them under a microscope. This is a time-consuming, tedious and error-prone process, resulting in compromised management decisions by farmers. Hence, automating this process for quick and accurate HAB monitoring is extremely helpful. However, this requires large and diverse datasets of phytoplankton images, and such datasets are hard to produce quickly. In this work, we explore the feasibility of generating novel high-resolution photorealistic synthetic phytoplankton images, containing multiple species in the same image, given a small dataset of real images. To this end, we employ Generative Adversarial Networks (GANs) to generate synthetic images. We evaluate three different GAN architectures: ProjectedGAN, FastGAN, and StyleGANv2 using standard image quality metrics. We empirically show the generation of high-fidelity synthetic phytoplankton images using a training dataset of only 961 real images. Thus, this work demonstrates the ability of GANs to create large synthetic datasets of phytoplankton from small training datasets, accomplishing a key step towards sustainable systematic monitoring of harmful algal blooms.

Exponential families are widely used in machine learning, including many distributions in continuous and discrete domains (e.g., Gaussian, Dirichlet, Poisson, and categorical distributions via the softmax transformation). Distributions in each of these families have fixed support. In contrast, for finite domains, recent work on sparse alternatives to softmax (e.g., sparsemax, $\alpha$-entmax, and fusedmax), has led to distributions with varying support. This paper develops sparse alternatives to continuous distributions, based on several technical contributions: First, we define $\Omega$-regularized prediction maps and Fenchel-Young losses for arbitrary domains (possibly countably infinite or continuous). For linearly parametrized families, we show that minimization of Fenchel-Young losses is equivalent to moment matching of the statistics, generalizing a fundamental property of exponential families. When $\Omega$ is a Tsallis negentropy with parameter $\alpha$, we obtain ``deformed exponential families,'' which include $\alpha$-entmax and sparsemax ($\alpha=2$) as particular cases. For quadratic energy functions, the resulting densities are $\beta$-Gaussians, an instance of elliptical distributions that contain as particular cases the Gaussian, biweight, triweight, and Epanechnikov densities, and for which we derive closed-form expressions for the variance, Tsallis entropy, and Fenchel-Young loss. When $\Omega$ is a total variation or Sobolev regularizer, we obtain a continuous version of the fusedmax. Finally, we introduce continuous-domain attention mechanisms, deriving efficient gradient backpropagation algorithms for $\alpha \in \{1, 4/3, 3/2, 2\}$. Using these algorithms, we demonstrate our sparse continuous distributions for attention-based audio classification and visual question answering, showing that they allow attending to time intervals and compact regions.

Neural operators are a popular technique in scientific machine learning to learn a mathematical model of the behavior of unknown physical systems from data. Neural operators are especially useful to learn solution operators associated with partial differential equations (PDEs) from pairs of forcing functions and solutions when numerical solvers are not available or the underlying physics is poorly understood. In this work, we attempt to provide theoretical foundations to understand the amount of training data needed to learn time-dependent PDEs. Given input-output pairs from a parabolic PDE in any spatial dimension $n\geq 1$, we derive the first theoretically rigorous scheme for learning the associated solution operator, which takes the form of a convolution with a Green's function $G$. Until now, rigorously learning Green's functions associated with time-dependent PDEs has been a major challenge in the field of scientific machine learning because $G$ may not be square-integrable when $n>1$, and time-dependent PDEs have transient dynamics. By combining the hierarchical low-rank structure of $G$ together with randomized numerical linear algebra, we construct an approximant to $G$ that achieves a relative error of $\smash{\mathcal{O}(\Gamma_\epsilon^{-1/2}\epsilon)}$ in the $L^1$-norm with high probability by using at most $\smash{\mathcal{O}(\epsilon^{-\frac{n+2}{2}}\log(1/\epsilon))}$ input-output training pairs, where $\Gamma_\epsilon$ is a measure of the quality of the training dataset for learning $G$, and $\epsilon>0$ is sufficiently small.

Prediction of annual crop yields at a county granularity is important for national food production and price stability. In this paper, towards the goal of better crop yield prediction, leveraging recent graph signal processing (GSP) tools to exploit spatial correlation among neighboring counties, we denoise relevant features via graph spectral filtering that are inputs to a deep learning prediction model. Specifically, we first construct a combinatorial graph with edge weights that encode county-to-county similarities in soil and location features via metric learning. We then denoise features via a maximum a posteriori (MAP) formulation with a graph Laplacian regularizer (GLR). We focus on the challenge to estimate the crucial weight parameter $\mu$, trading off the fidelity term and GLR, that is a function of noise variance in an unsupervised manner. We first estimate noise variance directly from noise-corrupted graph signals using a graph clique detection (GCD) procedure that discovers locally constant regions. We then compute an optimal $\mu$ minimizing an approximate mean square error function via bias-variance analysis. Experimental results from collected USDA data show that using denoised features as input, performance of a crop yield prediction model can be improved noticeably.

Although masked language models are highly performant and widely adopted by NLP practitioners, they can not be easily used for autoregressive language modelling (next word prediction and sequence probability estimation). We present an LSTM-based autoregressive language model which uses prefix embeddings (from a pretrained masked language model) via fusion (e.g. concatenation) to obtain a richer context representation for language modelling. We find that fusion helps reliably in lowering the perplexity (16.74 $\rightarrow$ 15.80), which is even preserved after a transfer to a dataset from a different domain than the training data. We also evaluate the best-performing fusion model by correlating its next word surprisal estimates with human reading times. Contradicting our expectation, and despite the improvement in perplexity overall, the correlation remains the same as for the baseline model. Lastly, while we focus on language models pre-trained on text as the sources for the fusion, our approach can be possibly extended to fuse any information represented as a fixed-size vector into an auto-regressive language model. These include e.g. sentence external information retrieved for a knowledge base or representations of multi-modal encoders.

Nowadays, malware and malware incidents are increasing daily, even with various antivirus systems and malware detection or classification methodologies. Machine learning techniques have been the main focus of the security experts to detect malware and determine their families. Many static, dynamic, and hybrid techniques have been presented for that purpose. In this study, the static analysis technique has been applied to malware samples to extract API calls, which is one of the most used features in machine/deep learning models as it represents the behavior of malware samples. Since the rapid increase and continuous evolution of malware affect the detection capacity of antivirus scanners, recent and updated datasets of malicious software became necessary to overcome this drawback. This paper introduces two new datasets: One with 14,616 samples obtained and compiled from VirusShare and one with 9,795 samples from VirusSample. In addition, benchmark results based on static API calls of malware samples are presented using several machine and deep learning models on these datasets. We believe that these two datasets and benchmark results enable researchers to test and validate their methods and approaches in this field.

We consider the problem of learning detectors with a Constant False Alarm Rate (CFAR). Classical model-based solutions to composite hypothesis testing are sensitive to imperfect models and are often computationally expensive. In contrast, data-driven machine learning is often more robust and yields classifiers with fixed computational complexity. Learned detectors usually do not have a CFAR as required in many applications. To close this gap, we introduce CFARnet where the loss function is penalized to promote similar distributions of the detector under any null hypothesis scenario. Asymptotic analysis in the case of linear models with general Gaussian noise reveals that the classical generalized likelihood ratio test (GLRT) is actually a minimizer of the CFAR constrained Bayes risk. Experiments in both synthetic data and real hyper-spectral images show that CFARnet leads to near CFAR detectors with similar accuracy as their competitors.

Conservation of energy is at the core of many physical phenomena and dynamical systems. There have been a significant number of works in the past few years aimed at predicting the trajectory of motion of dynamical systems using neural networks while adhering to the law of conservation of energy. Most of these works are inspired by classical mechanics such as Hamiltonian and Lagrangian mechanics as well as Neural Ordinary Differential Equations. While these works have been shown to work well in specific domains respectively, there is a lack of a unifying method that is more generally applicable without requiring significant changes to the neural network architectures. In this work, we aim to address this issue by providing a simple method that could be applied to not just energy-conserving systems, but also dissipative systems, by including a different inductive bias in different cases in the form of a regularisation term in the loss function. The proposed method does not require changing the neural network architecture and could form the basis to validate a novel idea, therefore showing promises to accelerate research in this direction.

This paper studies deep reinforcement learning (DRL) for the task scheduling problem of multiple unmanned aerial vehicles (UAVs). Current approaches generally use exact and heuristic algorithms to solve the problem, while the computation time rapidly increases as the task scale grows and heuristic rules need manual design. As a self-learning method, DRL can obtain a high-quality solution quickly without hand-engineered rules. However, the huge decision space makes the training of DRL models becomes unstable in situations with large-scale tasks. In this work, to address the large-scale problem, we develop a divide and conquer-based framework (DCF) to decouple the original problem into a task allocation and a UAV route planning subproblems, which are solved in the upper and lower layers, respectively. Based on DCF, a double-layer deep reinforcement learning approach (DL-DRL) is proposed, where an upper-layer DRL model is designed to allocate tasks to appropriate UAVs and a lower-layer DRL model [i.e., the widely used attention model (AM)] is applied to generate viable UAV routes. Since the upper-layer model determines the input data distribution of the lower-layer model, and its reward is calculated via the lower-layer model during training, we develop an interactive training strategy (ITS), where the whole training process consists of pre-training, intensive training, and alternate training processes. Experimental results show that our DL-DRL outperforms mainstream learning-based and most traditional methods, and is competitive with the state-of-the-art heuristic method [i.e., OR-Tools], especially on large-scale problems. The great generalizability of DL-DRL is also verified by testing the model learned for a problem size to larger ones. Furthermore, an ablation study demonstrates that our ITS can reach a compromise between the model performance and training duration.

When the available hardware cannot meet the memory and compute requirements to efficiently train high performing machine learning models, a compromise in either the training quality or the model complexity is needed. In Federated Learning (FL), nodes are orders of magnitude more constrained than traditional server-grade hardware and are often battery powered, severely limiting the sophistication of models that can be trained under this paradigm. While most research has focused on designing better aggregation strategies to improve convergence rates and in alleviating the communication costs of FL, fewer efforts have been devoted to accelerating on-device training. Such stage, which repeats hundreds of times (i.e. every round) and can involve thousands of devices, accounts for the majority of the time required to train federated models and, the totality of the energy consumption at the client side. In this work, we present the first study on the unique aspects that arise when introducing sparsity at training time in FL workloads. We then propose ZeroFL, a framework that relies on highly sparse operations to accelerate on-device training. Models trained with ZeroFL and 95% sparsity achieve up to 2.3% higher accuracy compared to competitive baselines obtained from adapting a state-of-the-art sparse training framework to the FL setting.

Sound is one of the most informative and abundant modalities in the real world while being robust to sense without contacts by small and cheap sensors that can be placed on mobile devices. Although deep learning is capable of extracting information from multiple sensory inputs, there has been little use of sound for the control and learning of robotic actions. For unsupervised reinforcement learning, an agent is expected to actively collect experiences and jointly learn representations and policies in a self-supervised way. We build realistic robotic manipulation scenarios with physics-based sound simulation and propose the Intrinsic Sound Curiosity Module (ISCM). The ISCM provides feedback to a reinforcement learner to learn robust representations and to reward a more efficient exploration behavior. We perform experiments with sound enabled during pre-training and disabled during adaptation, and show that representations learned by ISCM outperform the ones by vision-only baselines and pre-trained policies can accelerate the learning process when applied to downstream tasks.

In recent years, decentralized learning has emerged as a powerful tool not only for large-scale machine learning, but also for preserving privacy. One of the key challenges in decentralized learning is that the data distribution held by each node is statistically heterogeneous. To address this challenge, the primal-dual algorithm called the Edge-Consensus Learning (ECL) was proposed and was experimentally shown to be robust to the heterogeneity of data distributions. However, the convergence rate of the ECL is provided only when the objective function is convex, and has not been shown in a standard machine learning setting where the objective function is non-convex. Furthermore, the intuitive reason why the ECL is robust to the heterogeneity of data distributions has not been investigated. In this work, we first investigate the relationship between the ECL and Gossip algorithm and show that the update formulas of the ECL can be regarded as correcting the local stochastic gradient in the Gossip algorithm. Then, we propose the Generalized ECL (G-ECL), which contains the ECL as a special case, and provide the convergence rates of the G-ECL in both (strongly) convex and non-convex settings, which do not depend on the heterogeneity of data distributions. Through synthetic experiments, we demonstrate that the numerical results of both the G-ECL and ECL coincide with the convergence rate of the G-ECL.

Domain generalization (DG) aims to learn a model on one or more different but related source domains that could be generalized into an unseen target domain. Existing DG methods try to prompt the diversity of source domains for the model's generalization ability, while they may have to introduce auxiliary networks or striking computational costs. On the contrary, this work applies the implicit semantic augmentation in feature space to capture the diversity of source domains. Concretely, an additional loss function of distance metric learning (DML) is included to optimize the local geometry of data distribution. Besides, the logits from cross entropy loss with infinite augmentations is adopted as input features for the DML loss in lieu of the deep features. We also provide a theoretical analysis to show that the logits can approximate the distances defined on original features well. Further, we provide an in-depth analysis of the mechanism and rational behind our approach, which gives us a better understanding of why leverage logits in lieu of features can help domain generalization. The proposed DML loss with the implicit augmentation is incorporated into a recent DG method, that is, Fourier Augmented Co-Teacher framework (FACT). Meanwhile, our method also can be easily plugged into various DG methods. Extensive experiments on three benchmarks (Digits-DG, PACS and Office-Home) have demonstrated that the proposed method is able to achieve the state-of-the-art performance.

Stochastic gradient descent (SGD) algorithm is an effective learning strategy to build a latent factor analysis (LFA) model on a high-dimensional and incomplete (HDI) matrix. A particle swarm optimization (PSO) algorithm is commonly adopted to make an SGD-based LFA model's hyper-parameters, i.e, learning rate and regularization coefficient, self-adaptation. However, a standard PSO algorithm may suffer from accuracy loss caused by premature convergence. To address this issue, this paper incorporates more historical information into each particle's evolutionary process for avoiding premature convergence following the principle of a generalized-momentum (GM) method, thereby innovatively achieving a novel GM-incorporated PSO (GM-PSO). With it, a GM-PSO-based LFA (GMPL) model is further achieved to implement efficient self-adaptation of hyper-parameters. The experimental results on three HDI matrices demonstrate that the GMPL model achieves a higher prediction accuracy for missing data estimation in industrial applications.

Large pre-trained neural networks are ubiquitous and critical to the success of many downstream tasks in natural language processing and computer vision. However, within the field of web information retrieval, there is a stark contrast in the lack of similarly flexible and powerful pre-trained models that can properly parse webpages. Consequently, we believe that common machine learning tasks like content extraction and information mining from webpages have low-hanging gains that yet remain untapped. We aim to close the gap by introducing an agnostic deep graph neural network feature extractor that can ingest webpage structures, pre-train self-supervised on massive unlabeled data, and fine-tune to arbitrary tasks on webpages effectually. Finally, we show that our pre-trained model achieves state-of-the-art results using multiple datasets on two very different benchmarks: webpage boilerplate removal and genre classification, thus lending support to its potential application in diverse downstream tasks.

In this work, SVEIDR model and its variants (Aged, Vaccination-structured models) are introduced to encode the effect of social contact for different age groups and vaccination status. Then we implement the Physic-Informed Neural Network on both simulation and real-world data. Results including the spread and forecasting analysis of COVID-19 learned from the neural network are shown in the paper.

We commonly assume that data are a homogeneous set of observations when learning the structure of Bayesian networks. However, they often comprise different data sets that are related but not homogeneous because they have been collected in different ways or from different populations. In our previous work (Azzimonti, Corani and Scutari, 2021), we proposed a closed-form Bayesian Hierarchical Dirichlet score for discrete data that pools information across related data sets to learn a single encompassing network structure, while taking into account the differences in their probabilistic structures. In this paper, we provide an analogous solution for learning a Bayesian network from continuous data using mixed-effects models to pool information across the related data sets. We study its structural, parametric, predictive and classification accuracy and we show that it outperforms both conditional Gaussian Bayesian networks (that do not perform any pooling) and classical Gaussian Bayesian networks (that disregard the heterogeneous nature of the data). The improvement is marked for low sample sizes and for unbalanced data sets.

This paper presents a state-of-the-art overview on how to architect, design, and optimize Deep Neural Networks (DNNs) such that performance is improved and accuracy is preserved. The paper covers a set of optimizations that span the entire Machine Learning processing pipeline. We introduce two types of optimizations. The first alters the DNN model and requires NN re-training, while the second does not. We focus on GPU optimizations, but we believe the presented techniques can be used with other AI inference platforms. To demonstrate the DNN model optimizations, we improve one of the most advanced deep network architectures for optical flow, RAFT arXiv:2003.12039, on a popular edge AI inference platform (Nvidia Jetson AGX Xavier).

This paper presents a deep learning approach for image retrieval and pattern spotting in digital collections of historical documents. First, a region proposal algorithm detects object candidates in the document page images. Next, deep learning models are used for feature extraction, considering two distinct variants, which provide either real-valued or binary code representations. Finally, candidate images are ranked by computing the feature similarity with a given input query. A robust experimental protocol evaluates the proposed approach considering each representation scheme (real-valued and binary code) on the DocExplore image database. The experimental results show that the proposed deep models compare favorably to the state-of-the-art image retrieval approaches for images of historical documents, outperforming other deep models by 2.56 percentage points using the same techniques for pattern spotting. Besides, the proposed approach also reduces the search time by up to 200x and the storage cost up to 6,000x when compared to related works based on real-valued representations.

Autonomous Driving (AD) related features represent important elements for the next generation of mobile robots and autonomous vehicles focused on increasingly intelligent, autonomous, and interconnected systems. The applications involving the use of these features must provide, by definition, real-time decisions, and this property is key to avoid catastrophic accidents. Moreover, all the decision processes must require low power consumption, to increase the lifetime and autonomy of battery-driven systems. These challenges can be addressed through efficient implementations of Spiking Neural Networks (SNNs) on Neuromorphic Chips and the use of event-based cameras instead of traditional frame-based cameras. In this paper, we present a new SNN-based approach, called LaneSNN, for detecting the lanes marked on the streets using the event-based camera input. We develop four novel SNN models characterized by low complexity and fast response, and train them using an offline supervised learning rule. Afterward, we implement and map the learned SNNs models onto the Intel Loihi Neuromorphic Research Chip. For the loss function, we develop a novel method based on the linear composition of Weighted binary Cross Entropy (WCE) and Mean Squared Error (MSE) measures. Our experimental results show a maximum Intersection over Union (IoU) measure of about 0.62 and very low power consumption of about 1 W. The best IoU is achieved with an SNN implementation that occupies only 36 neurocores on the Loihi processor while providing a low latency of less than 8 ms to recognize an image, thereby enabling real-time performance. The IoU measures provided by our networks are comparable with the state-of-the-art, but at a much low power consumption of 1 W.

How the brain performs credit assignment is a fundamental unsolved problem in neuroscience. Many `biologically plausible' algorithms have been proposed, which compute gradients that approximate those computed by backpropagation (BP), and which operate in ways that more closely satisfy the constraints imposed by neural circuitry. Many such algorithms utilize the framework of energy-based models (EBMs), in which all free variables in the model are optimized to minimize a global energy function. However, in the literature, these algorithms exist in isolation and no unified theory exists linking them together. Here, we provide a comprehensive theory of the conditions under which EBMs can approximate BP, which lets us unify many of the BP approximation results in the literature (namely, predictive coding, equilibrium propagation, and contrastive Hebbian learning) and demonstrate that their approximation to BP arises from a simple and general mathematical property of EBMs at free-phase equilibrium. This property can then be exploited in different ways with different energy functions, and these specific choices yield a family of BP-approximating algorithms, which both includes the known results in the literature and can be used to derive new ones.

Neural network pruning has been an essential technique to reduce the computation and memory requirements for using deep neural networks for resource-constrained devices. Most existing research focuses primarily on balancing the sparsity and accuracy of a pruned neural network by strategically removing insignificant parameters and retraining the pruned model. Such efforts on reusing training samples pose serious privacy risks due to increased memorization, which, however, has not been investigated yet. In this paper, we conduct the first analysis of privacy risks in neural network pruning. Specifically, we investigate the impacts of neural network pruning on training data privacy, i.e., membership inference attacks. We first explore the impact of neural network pruning on prediction divergence, where the pruning process disproportionately affects the pruned model's behavior for members and non-members. Meanwhile, the influence of divergence even varies among different classes in a fine-grained manner. Enlighten by such divergence, we proposed a self-attention membership inference attack against the pruned neural networks. Extensive experiments are conducted to rigorously evaluate the privacy impacts of different pruning approaches, sparsity levels, and adversary knowledge. The proposed attack shows the higher attack performance on the pruned models when compared with eight existing membership inference attacks. In addition, we propose a new defense mechanism to protect the pruning process by mitigating the prediction divergence based on KL-divergence distance, whose effectiveness has been experimentally demonstrated to effectively mitigate the privacy risks while maintaining the sparsity and accuracy of the pruned models.

Accurate segmentation of retinal fluids in 3D Optical Coherence Tomography images is key for diagnosis and personalized treatment of eye diseases. While deep learning has been successful at this task, trained supervised models often fail for images that do not resemble labeled examples, e.g. for images acquired using different devices. We hereby propose a novel semi-supervised learning framework for segmentation of volumetric images from new unlabeled domains. We jointly use supervised and contrastive learning, also introducing a contrastive pairing scheme that leverages similarity between nearby slices in 3D. In addition, we propose channel-wise aggregation as an alternative to conventional spatial-pooling aggregation for contrastive feature map projection. We evaluate our methods for domain adaptation from a (labeled) source domain to an (unlabeled) target domain, each containing images acquired with different acquisition devices. In the target domain, our method achieves a Dice coefficient 13.8% higher than SimCLR (a state-of-the-art contrastive framework), and leads to results comparable to an upper bound with supervised training in that domain. In the source domain, our model also improves the results by 5.4% Dice, by successfully leveraging information from many unlabeled images.

Sum-of-norms clustering is a convex optimization problem whose solution can be used for the clustering of multivariate data. We propose and study a localized version of this method, and show in particular that it can separate arbitrarily close balls in the stochastic ball model. More precisely, we prove a quantitative bound on the error incurred in the clustering of disjoint connected sets. Our bound is expressed in terms of the number of datapoints and the localization length of the functional.

This work is concerned with discovering the governing partial differential equation (PDE) of a physical system. Existing methods have demonstrated the PDE identification from finite observations but failed to maintain satisfying results against noisy data, partly owing to suboptimal estimated derivatives and found PDE coefficients. We address the issues by introducing a noise-aware physics-informed machine learning (nPIML) framework to discover the governing PDE from data following arbitrary distributions. We propose training a couple of neural networks, namely solver and preselector, in a multi-task learning paradigm, which yields important scores of basis candidates that constitute the hidden physical constraint. After they are jointly trained, the solver network estimates potential candidates, e.g., partial derivatives, for the sparse regression algorithm to initially unveil the most likely parsimonious PDE, decided according to the information criterion. We also propose the denoising physics-informed neural networks (dPINNs), based on Discrete Fourier Transform (DFT), to deliver a set of the optimal finetuned PDE coefficients respecting the noise-reduced variables. The denoising PINNs are structured into forefront projection networks and a PINN, by which the formerly learned solver initializes. Our extensive experiments on five canonical PDEs affirm that the proposed framework presents a robust and interpretable approach for PDE discovery, applicable to a wide range of systems, possibly complicated by noise.

The paper presents a new efficient and robust method for rare event probability estimation for computational models of an engineering product or a process returning categorical information only, for example, either success or failure. For such models, most of the methods designed for the estimation of failure probability, which use the numerical value of the outcome to compute gradients or to estimate the proximity to the failure surface, cannot be applied. Even if the performance function provides more than just binary output, the state of the system may be a non-smooth or even a discontinuous function defined in the domain of continuous input variables. In these cases, the classical gradient-based methods usually fail. We propose a simple yet efficient algorithm, which performs a sequential adaptive selection of points from the input domain of random variables to extend and refine a simple distance-based surrogate model. Two different tasks can be accomplished at any stage of sequential sampling: (i) estimation of the failure probability, and (ii) selection of the best possible candidate for the subsequent model evaluation if further improvement is necessary. The proposed criterion for selecting the next point for model evaluation maximizes the expected probability classified by using the candidate. Therefore, the perfect balance between global exploration and local exploitation is maintained automatically. The method can estimate the probabilities of multiple failure types. Moreover, when the numerical value of model evaluation can be used to build a smooth surrogate, the algorithm can accommodate this information to increase the accuracy of the estimated probabilities. Lastly, we define a new simple yet general geometrical measure of the global sensitivity of the rare-event probability to individual variables, which is obtained as a by-product of the proposed algorithm.

Recently has seen the growth in the use of mobile health (mHealth) information services, which have rich guides on improving physical activity. These rich guides evolved from the consideration of various personal behavioural factors, which often deviate from the user's health conditions. The behavioural factors include changing fitness preferences, adherence issues, and uncertainty about future fitness outcomes, which may all lead to a decline in the quality of the mHealth information services. Many of these mHealth information services provide limited fitness guidance owing to the dynamics of the user's health conditions. This paper seeks an adaptive method using deep reinforcement learning to make personalised physical activity recommendations, which is learnt from retrospective physical activity data and can simulate realistic behaviour trajectories. We construct a real-time interaction model for the mHealth information service system based on scientific knowledge about physical activity to evaluate its exercise performance. The physical activity performance evaluation model is used to find the optimal exercise intensity considering the fitness and fatigue effects to avoid the lack of exercise or overload. The short-term activity plans are made using deep reinforcement learning and personal health conditions that change over time. Using this method, we can dynamically update the physical activity recommendation policy in accordance with the real implementation behaviour. Our DRL-based recommender policy was validated by comparison to other benchmark policies. Experimental results show that this adaptive learning algorithm can improve recommendation performance over 4.13 percent.

Smart eHealth applications deliver personalized and preventive digital healthcare services to clients through remote sensing, continuous monitoring, and data analytics. Smart eHealth applications sense input data from multiple modalities, transmit the data to edge and/or cloud nodes, and process the data with compute intensive machine learning (ML) algorithms. Run-time variations with continuous stream of noisy input data, unreliable network connection, computational requirements of ML algorithms, and choice of compute placement among sensor-edge-cloud layers affect the efficiency of ML-driven eHealth applications. In this chapter, we present edge-centric techniques for optimized compute placement, exploration of accuracy-performance trade-offs, and cross-layered sense-compute co-optimization for ML-driven eHealth applications. We demonstrate the practical use cases of smart eHealth applications in everyday settings, through a sensor-edge-cloud framework for an objective pain assessment case study.

This paper presents a systematic study on gap-dependent sample complexity in offline reinforcement learning. Prior work showed when the density ratio between an optimal policy and the behavior policy is upper bounded (the optimal policy coverage assumption), then the agent can achieve an $O\left(\frac{1}{\epsilon^2}\right)$ rate, which is also minimax optimal. We show under the optimal policy coverage assumption, the rate can be improved to $O\left(\frac{1}{\epsilon}\right)$ when there is a positive sub-optimality gap in the optimal $Q$-function. Furthermore, we show when the visitation probabilities of the behavior policy are uniformly lower bounded for states where an optimal policy's visitation probabilities are positive (the uniform optimal policy coverage assumption), the sample complexity of identifying an optimal policy is independent of $\frac{1}{\epsilon}$. Lastly, we present nearly-matching lower bounds to complement our gap-dependent upper bounds.

Motivated by practical considerations in machine learning for financial decision-making, such as risk-aversion and large action space, we initiate the study of risk-aware linear bandits. Specifically, we consider regret minimization under the mean-variance measure when facing a set of actions whose rewards can be expressed as linear functions of (initially) unknown parameters. Driven by the variance-minimizing G-optimal design, we propose the Risk-Aware Explore-then-Commit (RISE) algorithm and the Risk-Aware Successive Elimination (RISE++) algorithm. Then, we rigorously analyze their regret upper bounds to show that, by leveraging the linear structure, the algorithms can dramatically reduce the regret when compared to existing methods. Finally, we demonstrate the performance of the algorithms by conducting extensive numerical experiments in a synthetic smart order routing setup. Our results show that both RISE and RISE++ can outperform the competing methods, especially in complex decision-making scenarios.

Recently Implicit Neural Representations (INRs) gained attention as a novel and effective representation for various data types. Thus far, prior work mostly focused on optimizing their reconstruction performance. This work investigates INRs from a novel perspective, i.e., as a tool for image compression. To this end, we propose the first comprehensive compression pipeline based on INRs including quantization, quantization-aware retraining and entropy coding. Encoding with INRs, i.e. overfitting to a data sample, is typically orders of magnitude slower. To mitigate this drawback, we leverage meta-learned initializations based on MAML to reach the encoding in fewer gradient updates which also generally improves rate-distortion performance of INRs. We find that our approach to source compression with INRs vastly outperforms similar prior work, is competitive with common compression algorithms designed specifically for images and closes the gap to state-of-the-art learned approaches based on Rate-Distortion Autoencoders. Moreover, we provide an extensive ablation study on the importance of individual components of our method which we hope facilitates future research on this novel approach to image compression.

Story visualization aims to generate a sequence of images to narrate each sentence in a multi-sentence story with a global consistency across dynamic scenes and characters. Current works still struggle with output images' quality and consistency, and rely on additional semantic information or auxiliary captioning networks. To address these challenges, we first introduce a new sentence representation, which incorporates word information from all story sentences to mitigate the inconsistency problem. Then, we propose a new discriminator with fusion features and further extend the spatial attention to improve image quality and story consistency. Extensive experiments on different datasets and human evaluation demonstrate the superior performance of our approach, compared to state-of-the-art methods, neither using segmentation masks nor auxiliary captioning networks.

We provide a convergence analysis of gradient descent for the problem of agnostically learning a single ReLU function under Gaussian distributions. Unlike prior work that studies the setting of zero bias, we consider the more challenging scenario when the bias of the ReLU function is non-zero. Our main result establishes that starting from random initialization, in a polynomial number of iterations gradient descent outputs, with high probability, a ReLU function that achieves a competitive error guarantee when compared to the error of the best ReLU function. We also provide finite sample guarantees, and these techniques generalize to a broader class of marginal distributions beyond Gaussians.

Given the huge volume of cross-border flows, effective and efficient control of trades becomes more crucial in protecting people and society from illicit trades while facilitating legitimate trades. However, limited accessibility of the transaction-level trade datasets hinders the progress of open research, and lots of customs administrations have not benefited from the recent progress in data-based risk management. In this paper, we introduce an import declarations dataset to facilitate the collaboration between the domain experts in customs administrations and data science researchers. The dataset contains 54,000 artificially generated trades with 22 key attributes, and it is synthesized with CTGAN while maintaining correlated features. Synthetic data has several advantages. First, releasing the dataset is free from restrictions that do not allow disclosing the original import data. Second, the fabrication step minimizes the possible identity risk which may exist in trade statistics. Lastly, the published data follow a similar distribution to the source data so that it can be used in various downstream tasks. With the provision of data and its generation process, we open baseline codes for fraud detection tasks, as we empirically show that more advanced algorithms can better detect frauds.

Long-tailed image recognition presents massive challenges to deep learning systems since the imbalance between majority (head) classes and minority (tail) classes severely skews the data-driven deep neural networks. Previous methods tackle with data imbalance from the viewpoints of data distribution, feature space, and model design, etc.In this work, instead of directly learning a recognition model, we suggest confronting the bottleneck of head-to-tail bias before classifier learning, from the previously omitted perspective of balancing label space. To alleviate the head-to-tail bias, we propose a concise paradigm by progressively adjusting label space and dividing the head classes and tail classes, dynamically constructing balance from imbalance to facilitate the classification. With flexible data filtering and label space mapping, we can easily embed our approach to most classification models, especially the decoupled training methods. Besides, we find the separability of head-tail classes varies among different features with different inductive biases. Hence, our proposed model also provides a feature evaluation method and paves the way for long-tailed feature learning. Extensive experiments show that our method can boost the performance of state-of-the-arts of different types on widely-used benchmarks. Code is available at https://github.com/silicx/DLSA.

Almost all adversarial attacks are formulated to add an imperceptible perturbation to an image in order to fool a model. Here, we consider the opposite which is adversarial examples that can fool a human but not a model. A large enough and perceptible perturbation is added to an image such that a model maintains its original decision, whereas a human will most likely make a mistake if forced to decide (or opt not to decide at all). Existing targeted attacks can be reformulated to synthesize such adversarial examples. Our proposed attack, dubbed NKE, is similar in essence to the fooling images, but is more efficient since it uses gradient descent instead of evolutionary algorithms. It also offers a new and unified perspective into the problem of adversarial vulnerability. Experimental results over MNIST and CIFAR-10 datasets show that our attack is quite efficient in fooling deep neural networks. Code is available at https://github.com/aliborji/NKE.

Efficient quantum control is necessary for practical quantum computing implementations with current technologies. Conventional algorithms for determining optimal control parameters are computationally expensive, largely excluding them from use outside of the simulation. Existing hardware solutions structured as lookup tables are imprecise and costly. By designing a machine learning model to approximate the results of traditional tools, a more efficient method can be produced. Such a model can then be synthesized into a hardware accelerator for use in quantum systems. In this study, we demonstrate a machine learning algorithm for predicting optimal pulse parameters. This algorithm is lightweight enough to fit on a low-resource FPGA and perform inference with a latency of 175 ns and pipeline interval of 5 ns with $~>~$0.99 gate fidelity. In the long term, such an accelerator could be used near quantum computing hardware where traditional computers cannot operate, enabling quantum control at a reasonable cost at low latencies without incurring large data bandwidths outside of the cryogenic environment.

Contrails are condensation trails generated from emitted particles by aircraft engines, which perturb Earth's radiation budget. Simulation modeling is used to interpret the formation and development of contrails. These simulations are computationally intensive and rely on high-performance computing solutions, and the contrail structures are not well defined. We propose a visual computing system to assist in defining contrails and their characteristics, as well as in the analysis of parameters for computer-generated aircraft engine simulations. The back-end of our system leverages a contrail-formation criterion and clustering methods to detect contrails' shape and evolution and identify similar simulation runs. The front-end system helps analyze contrails and their parameters across multiple simulation runs. The evaluation with domain experts shows this approach successfully aids in contrail data investigation.

Deep learning (DL) applied to a device's radio-frequency fingerprint~(RFF) has attracted significant attention in physical-layer authentications due to its extraordinary classification performance. Conventional DL-RFF techniques, trained by adopting maximum likelihood estimation~(MLE), tend to overfit the channel statistics embedded in the training dataset. This restricts their practical applications as it is challenging to collect sufficient training data capturing the characteristics of all possible wireless channel environments. To address this challenge, we propose a DL framework of disentangled representation learning~(DRL) that first learns to factor the input signals into a device-relevant component and a device-irrelevant component via adversarial learning. Then, it synthesizes a set of augmented signals by shuffling these two parts within a given training dataset for training of subsequent RFF extractor. The implicit data augmentation in the proposed framework imposes a regularization on the RFF extractor to avoid the possible overfitting of device-irrelevant channel statistics, without collecting additional data from unknown channels. Experiments validate that the proposed approach, referred to as DR-RFF, outperforms conventional methods in terms of generalizability to unknown complicated propagation environments, e.g., dispersive multipath fading channels, even though all the training data are collected in a simple environment with dominated direct line-of-sight~(LoS) propagation paths.

With the advent of ubiquitous deployment of smart devices and the Internet of Things, data sources for machine learning inference have increasingly moved to the edge of the network. Existing machine learning inference platforms typically assume a homogeneous infrastructure and do not take into account the more complex and tiered computing infrastructure that includes edge devices, local hubs, edge datacenters, and cloud datacenters. On the other hand, recent AutoML efforts have provided viable solutions for model compression, pruning and quantization for heterogeneous environments; for a machine learning model, now we may easily find or even generate a series of models with different tradeoffs between accuracy and efficiency. We design and implement JellyBean, a system for serving and optimizing machine learning inference workflows on heterogeneous infrastructures. Given service-level objectives (e.g., throughput, accuracy), JellyBean picks the most cost-efficient models that meet the accuracy target and decides how to deploy them across different tiers of infrastructures. Evaluations show that JellyBean reduces the total serving cost of visual question answering by up to 58%, and vehicle tracking from the NVIDIA AI City Challenge by up to 36% compared with state-of-the-art model selection and worker assignment solutions. JellyBean also outperforms prior ML serving systems (e.g., Spark on the cloud) up to 5x in serving costs.

On-demand service provisioning is a critical yet challenging issue in 6G wireless communication networks, since emerging services have significantly diverse requirements and the network resources become increasingly heterogeneous and dynamic. In this paper, we study the on-demand wireless resource orchestration problem with the focus on the computing delay in orchestration decision-making process. Specifically, we take the decision-making delay into the optimization problem. Then, a dynamic neural network (DyNN)-based method is proposed, where the model complexity can be adjusted according to the service requirements. We further build a knowledge base representing the relationship among the service requirements, available computing resources, and the resource allocation performance. By exploiting the knowledge, the width of DyNN can be selected in a timely manner, further improving the performance of orchestration. Simulation results show that the proposed scheme significantly outperforms the traditional static neural network, and also shows sufficient flexibility in on-demand service provisioning.

The Machine Learning and Deep Learning Models require a lot of data for the training process, and in some scenarios, there might be some sensitive data, such as customer information involved, which the organizations might be hesitant to outsource for model building. Some of the privacy-preserving techniques such as Differential Privacy, Homomorphic Encryption, and Secure Multi-Party Computation can be integrated with different Machine Learning and Deep Learning algorithms to provide security to the data as well as the model. In this paper, we propose a Chaotic Extreme Learning Machine and its encrypted form using Fully Homomorphic Encryption where the weights and biases are generated using a logistic map instead of uniform distribution. Our proposed method has performed either better or similar to the Traditional Extreme Learning Machine on most of the datasets.

The uneven distribution of local data across different edge devices (clients) results in slow model training and accuracy reduction in federated learning. Naive federated learning (FL) strategy and most alternative solutions attempted to achieve more fairness by weighted aggregating deep learning models across clients. This work introduces a novel non-IID type encountered in real-world datasets, namely cluster-skew, in which groups of clients have local data with similar distributions, causing the global model to converge to an over-fitted solution. To deal with non-IID data, particularly the cluster-skewed data, we propose FedDRL, a novel FL model that employs deep reinforcement learning to adaptively determine each client's impact factor (which will be used as the weights in the aggregation process). Extensive experiments on a suite of federated datasets confirm that the proposed FedDRL improves favorably against FedAvg and FedProx methods, e.g., up to 4.05% and 2.17% on average for the CIFAR-100 dataset, respectively.

Voice conversion is a common speech synthesis task which can be solved in different ways depending on a particular real-world scenario. The most challenging one often referred to as one-shot many-to-many voice conversion consists in copying the target voice from only one reference utterance in the most general case when both source and target speakers do not belong to the training dataset. We present a scalable high-quality solution based on diffusion probabilistic modeling and demonstrate its superior quality compared to state-of-the-art one-shot voice conversion approaches. Moreover, focusing on real-time applications, we investigate general principles which can make diffusion models faster while keeping synthesis quality at a high level. As a result, we develop a novel Stochastic Differential Equations solver suitable for various diffusion model types and generative tasks as shown through empirical studies and justify it by theoretical analysis.

This paper concerns the convergence of empirical measures in high dimensions. We propose a new class of metrics and show that under such metrics, the convergence is free of the curse of dimensionality (CoD). Such a feature is critical for high-dimensional analysis and stands in contrast to classical metrics ({\it e.g.}, the Wasserstein distance). The proposed metrics originate from the maximum mean discrepancy, which we generalize by proposing specific criteria for selecting test function spaces to guarantee the property of being free of CoD. Therefore, we call this class of metrics the generalized maximum mean discrepancy (GMMD). Examples of the selected test function spaces include the reproducing kernel Hilbert space, Barron space, and flow-induced function spaces. Three applications of the proposed metrics are presented: 1. The convergence of empirical measure in the case of random variables; 2. The convergence of $n$-particle system to the solution to McKean-Vlasov stochastic differential equation; 3. The construction of an $\varepsilon$-Nash equilibrium for a homogeneous $n$-player game by its mean-field limit. As a byproduct, we prove that, given a distribution close to the target distribution measured by GMMD and a certain representation of the target distribution, we can generate a distribution close to the target one in terms of the Wasserstein distance and relative entropy. Overall, we show that the proposed class of metrics is a powerful tool to analyze the convergence of empirical measures in high dimensions without CoD.

Cardiac imaging known as echocardiography is a non-invasive tool utilized to produce data including images and videos, which cardiologists use to diagnose cardiac abnormalities in general and myocardial infarction (MI) in particular. Echocardiography machines can deliver abundant amounts of data that need to be quickly analyzed by cardiologists to help them make a diagnosis and treat cardiac conditions. However, the acquired data quality varies depending on the acquisition conditions and the patient's responsiveness to the setup instructions. These constraints are challenging to doctors especially when patients are facing MI and their lives are at stake. In this paper, we propose an innovative real-time end-to-end fully automated model based on convolutional neural networks (CNN) to detect MI depending on regional wall motion abnormalities (RWMA) of the left ventricle (LV) from videos produced by echocardiography. Our model is implemented as a pipeline consisting of a 2D CNN that performs data preprocessing by segmenting the LV chamber from the apical four-chamber (A4C) view, followed by a 3D CNN that performs a binary classification to detect if the segmented echocardiography shows signs of MI. We trained both CNNs on a dataset composed of 165 echocardiography videos each acquired from a distinct patient. The 2D CNN achieved an accuracy of 97.18% on data segmentation while the 3D CNN achieved 90.9% of accuracy, 100% of precision and 95% of recall on MI detection. Our results demonstrate that creating a fully automated system for MI detection is feasible and propitious.

We revisit the classic signal-to-symbol barrier in light of the remarkable ability of deep neural networks to generate realistic synthetic data. DeepFakes and spoofing highlight the feebleness of the link between physical reality and its abstract representation, whether learned by a digital computer or a biological agent. Starting from a widely applicable definition of abstract concept, we show that standard feed-forward architectures cannot capture but trivial concepts, regardless of the number of weights and the amount of training data, despite being extremely effective classifiers. On the other hand, architectures that incorporate recursion can represent a significantly larger class of concepts, but may still be unable to learn them from a finite dataset. We qualitatively describe the class of concepts that can be "understood" by modern architectures trained with variants of stochastic gradient descent, using a (free energy) Lagrangian to measure information complexity. Even if a concept has been understood, however, a network has no means of communicating its understanding to an external agent, except through continuous interaction and validation. We then characterize physical objects as abstract concepts and use the previous analysis to show that physical objects can be encoded by finite architectures. However, to understand physical concepts, sensors must provide persistently exciting observations, for which the ability to control the data acquisition process is essential (active perception). The importance of control depends on the modality, benefiting visual more than acoustic or chemical perception. Finally, we conclude that binding physical entities to digital identities is possible in finite time with finite resources, solving in principle the signal-to-symbol barrier problem, but we highlight the need for continuous validation.

Graph Attention Networks(GATs) are useful deep learning models to deal with the graph data. However, recent works show that the classical GAT is vulnerable to adversarial attacks. It degrades dramatically with slight perturbations. Therefore, how to enhance the robustness of GAT is a critical problem. Robust GAT(RoGAT) is proposed in this paper to improve the robustness of GAT based on the revision of the attention mechanism. Different from the original GAT, which uses the attention mechanism for different edges but is still sensitive to the perturbation, RoGAT adds an extra dynamic attention score progressively and improves the robustness. Firstly, RoGAT revises the edges weight based on the smoothness assumption which is quite common for ordinary graphs. Secondly, RoGAT further revises the features to suppress features' noise. Then, an extra attention score is generated by the dynamic edge's weight and can be used to reduce the impact of adversarial attacks. Different experiments against targeted and untargeted attacks on citation data on citation data demonstrate that RoGAT outperforms most of the recent defensive methods.

We develop a novel form of differentiable predictive control (DPC) with safety and robustness guarantees based on control barrier functions. DPC is an unsupervised learning-based method for obtaining approximate solutions to explicit model predictive control (MPC) problems. In DPC, the predictive control policy parametrized by a neural network is optimized offline via direct policy gradients obtained by automatic differentiation of the MPC problem. The proposed approach exploits a new form of sampled-data barrier function to enforce offline and online safety requirements in DPC settings while only interrupting the neural network-based controller near the boundary of the safe set. The effectiveness of the proposed approach is demonstrated in simulation.

Vehicle-to-Infrastructure (V2I) communication is becoming critical for the enhanced reliability of autonomous vehicles (AVs). However, the uncertainties in the road-traffic and AVs' wireless connections can severely impair timely decision-making. It is thus critical to simultaneously optimize the AVs' network selection and driving policies in order to minimize road collisions while maximizing the communication data rates. In this paper, we develop a reinforcement learning (RL) framework to characterize efficient network selection and autonomous driving policies in a multi-band vehicular network (VNet) operating on conventional sub-6GHz spectrum and Terahertz (THz) frequencies. The proposed framework is designed to (i) maximize the traffic flow and minimize collisions by controlling the vehicle's motion dynamics (i.e., speed and acceleration) from autonomous driving perspective, and (ii) maximize the data rates and minimize handoffs by jointly controlling the vehicle's motion dynamics and network selection from telecommunication perspective. We cast this problem as a Markov Decision Process (MDP) and develop a deep Q-learning based solution to optimize the actions such as acceleration, deceleration, lane-changes, and AV-base station assignments for a given AV's state. The AV's state is defined based on the velocities and communication channel states of AVs. Numerical results demonstrate interesting insights related to the inter-dependency of vehicle's motion dynamics, handoffs, and the communication data rate. The proposed policies enable AVs to adopt safe driving behaviors with improved connectivity.

Maintaining farm sustainability through optimizing the agricultural management practices helps build more planet-friendly environment. The emerging satellite missions can acquire multi- and hyperspectral imagery which captures more detailed spectral information concerning the scanned area, hence allows us to benefit from subtle spectral features during the analysis process in agricultural applications. We introduce an approach for extracting 2.5 m cultivated land maps from 10 m Sentinel-2 multispectral image series which benefits from a compact graph convolutional neural network. The experiments indicate that our models not only outperform classical and deep machine learning techniques through delivering higher-quality segmentation maps, but also dramatically reduce the memory footprint when compared to U-Nets (almost 8k trainable parameters of our models, with up to 31M parameters of U-Nets). Such memory frugality is pivotal in the missions which allow us to uplink a model to the AI-powered satellite once it is in orbit, as sending large nets is impossible due to the time constraints.

We address the problem of control in a risk-sensitive reinforcement learning (RL) context via distortion risk measures (DRM). We propose policy gradient algorithms, which maximize the DRM of the cumulative reward in an episodic Markov decision process in on-policy as well as off-policy RL settings. We employ two different approaches in devising the policy gradient algorithms. In the first approach, we derive a variant of the policy gradient theorem that caters to the DRM objective, and use this theorem in conjunction with a likelihood ratio-based gradient estimation scheme. In the second approach, we estimate the DRM from the empirical distribution of cumulative rewards, and use this estimation scheme along with a smoothed functional-based gradient estimation scheme. For policy gradient algorithms using either approach, we derive non-asymptotic bounds that establish the convergence to an approximate stationary point of the DRM objective.

Scaling up model depth and size is now a common approach to raise accuracy in many deep learning (DL) applications, as evidenced by the widespread success of multi-billion or even trillion parameter models in natural language processing (NLP) research. Despite success in DL research and at major technology companies, broader practical adoption of such large models among domain scientists and businesses is still bottlenecked by GPU memory limits, high training costs, and low GPU availability, even on public clouds. Model selection needs further compound these resource challenges: users often need to compare dozens of models with different hyper-parameters or neural architectures to suit their specific task and dataset. In this paper, we present Hydra, a system designed to tackle such challenges by enabling out-of-the-box scaling for multi-large-model DL workloads on even commodity GPUs in a resource-efficient manner. Hydra is the first approach to holistically optimize the execution of multi-model workloads for large DL models. We do this by adapting prior "model-parallel" execution schemes to work with scalable parameter offloading across the memory hierarchy and further hybridizing this approach with task-parallel job scheduling techniques. Hydra decouples scalability of model parameters from parallelism of execution, thus enabling DL users to train even a 6-billion parameter model on a single commodity GPU. It also fully exploits the speedup potential of task parallelism in multi-GPU setups, yielding near-linear strong scaling and making rigorous model selection perhaps more practical for such models. We evaluate end-to-end performance by fine-tuning GPT-2 for language modeling. We find that Hydra offers between 50% and 100% higher training throughput than even the best settings of state-of-the-art industrial frameworks such as DeepSpeed and GPipe for multi-large-model training.

One of the most important problems arising in time series analysis is that of bifurcation, or change point detection. That is, given a collection of time series over a varying parameter, when has the structure of the underlying dynamical system changed? For this task, we turn to the field of topological data analysis (TDA), which encodes information about the shape and structure of data. The idea of utilizing tools from TDA for signal processing tasks, known as topological signal processing (TSP), has gained much attention in recent years, largely through a standard pipeline that computes the persistent homology of the point cloud generated by the Takens' embedding. However, this procedure is limited by computation time since the simplicial complex generated in this case is large, but also has a great deal of redundant data. For this reason, we turn to a more recent method for encoding the structure of the attractor, which constructs an ordinal partition network (OPN) representing information about when the dynamical system has passed between certain regions of state space. The result is a weighted graph whose structure encodes information about the underlying attractor. Our previous work began to find ways to package the information of the OPN in a manner that is amenable to TDA; however, that work only used the network structure and did nothing to encode the additional weighting information. In this paper, we take the next step: building a pipeline to analyze the weighted OPN with TDA and showing that this framework provides more resilience to noise or perturbations in the system and improves the accuracy of the dynamic state detection.

This paper focuses on online kernel learning over a decentralized network. Each agent in the network receives continuous streaming data locally and works collaboratively to learn a nonlinear prediction function that is globally optimal in the reproducing kernel Hilbert space with respect to the total instantaneous costs of all agents. In order to circumvent the curse of dimensionality issue in traditional online kernel learning, we utilize random feature (RF) mapping to convert the non-parametric kernel learning problem into a fixed-length parametric one in the RF space. We then propose a novel learning framework named Online Decentralized Kernel learning via Linearized ADMM (ODKLA) to efficiently solve the online decentralized kernel learning problem. To further improve the communication efficiency, we add the quantization and censoring strategies in the communication stage and develop the Quantized and Communication-censored ODKLA (QC-ODKLA) algorithm. We theoretically prove that both ODKLA and QC-ODKLA can achieve the optimal sublinear regret $\mathcal{O}(\sqrt{T})$ over $T$ time slots. Through numerical experiments, we evaluate the learning effectiveness, communication, and computation efficiencies of the proposed methods.

Adversarial training (AT) formulated as the minimax optimization problem can effectively enhance the model's robustness against adversarial attacks. The existing AT methods mainly focused on manipulating the inner maximization for generating quality adversarial variants or manipulating the outer minimization for designing effective learning objectives. However, empirical results of AT always exhibit the robustness at odds with accuracy and the existence of the cross-over mixture problem, which motivates us to study some label randomness for benefiting the AT. First, we thoroughly investigate noisy labels (NLs) injection into AT's inner maximization and outer minimization, respectively and obtain the observations on when NL injection benefits AT. Second, based on the observations, we propose a simple but effective method -- NoiLIn that randomly injects NLs into training data at each training epoch and dynamically increases the NL injection rate once robust overfitting occurs. Empirically, NoiLIn can significantly mitigate the AT's undesirable issue of robust overfitting and even further improve the generalization of the state-of-the-art AT methods. Philosophically, NoiLIn sheds light on a new perspective of learning with NLs: NLs should not always be deemed detrimental, and even in the absence of NLs in the training set, we may consider injecting them deliberately. Codes are available in https://github.com/zjfheart/NoiLIn.  ( 3 min )

Recently, adapting the idea of self-supervised learning (SSL) on continuous speech has started gaining attention. SSL models pre-trained on a huge amount of unlabeled audio can generate general-purpose representations that benefit a wide variety of speech processing tasks. Despite their ubiquitous deployment, however, the potential privacy risks of these models have not been well investigated. In this paper, we present the first privacy analysis on several SSL speech models using Membership Inference Attacks (MIA) under black-box access. The experiment results show that these pre-trained models are vulnerable to MIA and prone to membership information leakage with high Area Under the Curve (AUC) in both utterance-level and speaker-level. Furthermore, we also conduct several ablation studies to understand the factors that contribute to the success of MIA.  ( 2 min )

Meta-Learning algorithms for few-shot learning aim to train neural networks capable of generalizing to novel tasks using only a few examples. Early-stopping is critical for performance, halting model training when it reaches optimal generalization to the new task distribution. Early-stopping mechanisms in Meta-Learning typically rely on measuring the model performance on labeled examples from a meta-validation set drawn from the training (source) dataset. This is problematic in few-shot transfer learning settings, where the meta-test set comes from a different target dataset (OOD) and can potentially have a large distributional shift with the meta-validation set. In this work, we propose Activation Based Early-stopping (ABE), an alternative to using validation-based early-stopping for meta-learning. Specifically, we analyze the evolution, during meta-training, of the neural activations at each hidden layer, on a small set of unlabelled support examples from a single task of the target tasks distribution, as this constitutes a minimal and justifiably accessible information from the target problem. Our experiments show that simple, label agnostic statistics on the activations offer an effective way to estimate how the target generalization evolves over time. At each hidden layer, we characterize the activation distributions, from their first and second order moments, then further summarized along the feature dimensions, resulting in a compact yet intuitive characterization in a four-dimensional space. Detecting when, throughout training time, and at which layer, the target activation trajectory diverges from the activation trajectory of the source data, allows us to perform early-stopping and improve generalization in a large array of few-shot transfer learning settings, across different algorithms, source and target datasets.  ( 3 min )

In this paper, we propose a parametrised factor that enables inference on Gaussian networks where linear dependencies exist among the random variables. Our factor representation is effectively a generalisation of traditional Gaussian parametrisations where the positive-definite constraint of the covariance matrix has been relaxed. For this purpose, we derive various statistical operations and results (such as marginalisation, multiplication and affine transformations of random variables) that extend the capabilities of Gaussian factors to these degenerate settings. By using this principled factor definition, degeneracies can be accommodated accurately and automatically at little additional computational cost. As illustration, we apply our methodology to a representative example involving recursive state estimation of cooperative mobile robots.  ( 2 min )

Predictive coding (PC) is an influential theory in computational neuroscience, which argues that the cortex forms unsupervised world models by implementing a hierarchical process of prediction error minimization. PC networks (PCNs) are trained in two phases. First, neural activities are updated to optimize the network's response to external stimuli. Second, synaptic weights are updated to consolidate this change in activity -- an algorithm called \emph{prospective configuration}. While previous work has shown how in various limits, PCNs can be found to approximate backpropagation (BP), recent work has demonstrated that PCNs operating in this standard regime, which does not approximate BP, nevertheless obtain competitive training and generalization performance to BP-trained networks while outperforming them on tasks such as online, few-shot, and continual learning, where brains are known to excel. Despite this promising empirical performance, little is understood theoretically about the properties and dynamics of PCNs in this regime. In this paper, we provide a comprehensive theoretical analysis of the properties of PCNs trained with prospective configuration. We first derive analytical results concerning the inference equilibrium for PCNs and a previously unknown close connection relationship to target propagation (TP). Secondly, we provide a theoretical analysis of learning in PCNs as a variant of generalized expectation-maximization and use that to prove the convergence of PCNs to critical points of the BP loss function, thus showing that deep PCNs can, in theory, achieve the same generalization performance as BP, while maintaining their unique advantages.  ( 3 min )

This work develops neural-network--based preconditioners to accelerate solution of the Wilson-Dirac normal equation in lattice quantum field theories. The approach is implemented for the two-flavor lattice Schwinger model near the critical point. In this system, neural-network preconditioners are found to accelerate the convergence of the conjugate gradient solver compared with the solution of unpreconditioned systems or those preconditioned with conventional approaches based on even-odd or incomplete Cholesky decompositions, as measured by reductions in the number of iterations and/or complex operations required for convergence. It is also shown that a preconditioner trained on ensembles with small lattice volumes can be used to construct preconditioners for ensembles with many times larger lattice volumes, with minimal degradation of performance. This volume-transferring technique amortizes the training cost and presents a pathway towards scaling such preconditioners to lattice field theory calculations with larger lattice volumes and in four dimensions.  ( 2 min )

Traffic classification, i.e. the identification of the type of applications flowing in a network, is a strategic task for numerous activities (e.g., intrusion detection, routing). This task faces some critical challenges that current deep learning approaches do not address. The design of current approaches do not take into consideration the fact that networking hardware (e.g., routers) often runs with limited computational resources. Further, they do not meet the need for faithful explainability highlighted by regulatory bodies. Finally, these traffic classifiers are evaluated on small datasets which fail to reflect the diversity of applications in real-world settings. Therefore, this paper introduces a Lightweight, Efficient and eXplainable-by-design convolutional neural network (LEXNet) for Internet traffic classification, which relies on a new residual block (for lightweight and efficiency purposes) and prototype layer (for explainability). Based on a commercial-grade dataset, our evaluation shows that LEXNet succeeds to maintain the same accuracy as the best performing state-of-the-art neural network, while providing the additional features previously mentioned. Moreover, we illustrate the explainability feature of our approach, which stems from the communication of detected application prototypes to the end-user, and we highlight the faithfulness of LEXNet explanations through a comparison with post hoc methods.  ( 3 min )

With the capacity of continual learning, humans can continuously acquire knowledge throughout their lifespan. However, computational systems are not, in general, capable of learning tasks sequentially. This long-standing challenge for deep neural networks (DNNs) is called catastrophic forgetting. Multiple solutions have been proposed to overcome this limitation. This paper makes an in-depth evaluation of the memory replay methods, exploring the efficiency, performance, and scalability of various sampling strategies when selecting replay data. All experiments are conducted on multiple datasets under various domains. Finally, a practical solution for selecting replay methods for various data distributions is provided.  ( 2 min )

Recent research shows that supervised learning can be an effective tool for designing optimal feedback controllers for high-dimensional nonlinear dynamic systems. But the behavior of neural network controllers is still not well understood. In particular, some neural networks with high test accuracy can fail to even locally stabilize the dynamic system. To address this challenge we propose several novel neural network architectures, which we show guarantee local asymptotic stability while retaining the approximation capacity to learn the optimal feedback policy semi-globally. The proposed architectures are compared against standard neural network feedback controllers through numerical simulations of two high-dimensional nonlinear optimal control problems: stabilization of an unstable Burgers-type partial differential equation, and altitude and course tracking for an unmanned aerial vehicle. The simulations demonstrate that standard neural networks can fail to stabilize the dynamics even when trained well, while the proposed architectures are always at least locally stabilizing. Moreover, the proposed controllers are found to be nearly optimal in testing.  ( 2 min )

Recent advance in contrastive learning has shown remarkable performance. However, the vast majority of approaches are limited to the closed-world setting. In this paper, we enrich the landscape of representation learning by tapping into an open-world setting, where unlabeled samples from novel classes can naturally emerge in the wild. To bridge the gap, we introduce a new learning framework, open-world contrastive learning (OpenCon). OpenCon tackles the challenges of learning compact representations for both known and novel classes, and facilitates novelty discovery along the way. We demonstrate the effectiveness of OpenCon on challenging benchmark datasets and establish competitive performance. On the ImageNet dataset, OpenCon significantly outperforms the current best method by 11.9% and 7.4% on novel and overall classification accuracy, respectively. We hope that our work will open up new doors for future work to tackle this important problem.  ( 2 min )

Learning from raw data input, thus limiting the need for feature engineering, is a component of many successful applications of machine learning methods in various domains. While many problems naturally translate into a vector representation directly usable in standard classifiers, a number of data sources have the natural form of structured data interchange formats (e.g., security logs in JSON/XML format). Existing methods, such as in Hierarchical Multiple Instance Learning (HMIL), allow learning from such data in their raw form. However, the explanation of the classifiers trained on raw structured data remains largely unexplored. By treating these models as sub-set selections problems, we demonstrate how interpretable explanations, with favourable properties, can be generated using computationally efficient algorithms. We compare to an explanation technique adopted from graph neural networks showing an order of magnitude speed-up and higher-quality explanations.  ( 2 min )

Domain adaptation for semantic segmentation across datasets consisting of the same categories has seen several recent successes. However, a more general scenario is when the source and target datasets correspond to non-overlapping label spaces. For example, categories in segmentation datasets change vastly depending on the type of environment or application, yet share many valuable semantic relations. Existing approaches based on feature alignment or discrepancy minimization do not take such category shift into account. In this work, we present Cluster-to-Adapt (C2A), a computationally efficient clustering-based approach for domain adaptation across segmentation datasets with completely different, but possibly related categories. We show that such a clustering objective enforced in a transformed feature space serves to automatically select categories across source and target domains that can be aligned for improving the target performance, while preventing negative transfer for unrelated categories. We demonstrate the effectiveness of our approach through experiments on the challenging problem of outdoor to indoor adaptation for semantic segmentation in few-shot as well as zero-shot settings, with consistent improvements in performance over existing approaches and baselines in all cases.  ( 2 min )

Mean opinion score (MOS) is a typical subjective evaluation metric for speech synthesis systems. Since collecting MOS is time-consuming, it would be desirable if there are accurate MOS prediction models for automatic evaluation. In this work, we propose DDOS, a novel MOS prediction model. DDOS utilizes domain adaptive pre-training to further pre-train self-supervised learning models on synthetic speech. And a proposed module is added to model the opinion score distribution of each utterance. With the proposed components, DDOS outperforms previous works on BVCC dataset. And the zero shot transfer result on BC2019 dataset is significantly improved. DDOS also wins second place in Interspeech 2022 VoiceMOS challenge in terms of system-level score.  ( 2 min )

The approaches by which the machine learning and clinical research communities utilize real world data (RWD), including data captured in the electronic health record (EHR), vary dramatically. While clinical researchers cautiously use RWD for clinical investigations, ML for healthcare teams consume public datasets with minimal scrutiny to develop new algorithms. This study bridges this gap by developing and validating ML-DQA, a data quality assurance framework grounded in RWD best practices. The ML-DQA framework is applied to five ML projects across two geographies, different medical conditions, and different cohorts. A total of 2,999 quality checks and 24 quality reports were generated on RWD gathered on 247,536 patients across the five projects. Five generalizable practices emerge: all projects used a similar method to group redundant data element representations; all projects used automated utilities to build diagnosis and medication data elements; all projects used a common library of rules-based transformations; all projects used a unified approach to assign data quality checks to data elements; and all projects used a similar approach to clinical adjudication. An average of 5.8 individuals, including clinicians, data scientists, and trainees, were involved in implementing ML-DQA for each project and an average of 23.4 data elements per project were either transformed or removed in response to ML-DQA. This study demonstrates the importance role of ML-DQA in healthcare projects and provides teams a framework to conduct these essential activities.  ( 3 min )

We present a new nonparametric mixture-of-experts model for multivariate regression problems, inspired by the probabilistic k-nearest neighbors algorithm. Using a conditionally specified model, predictions for out-of-sample inputs are based on similarities to each observed data point, yielding predictive distributions represented by Gaussian mixtures. Posterior inference is performed on the parameters of the mixture components as well as the distance metric using a mean-field variational Bayes algorithm accompanied with a stochastic gradient-based optimization procedure. The proposed method is especially advantageous in settings where inputs are of relatively high dimension in comparison to the data size, where input-output relationships are complex, and where predictive distributions may be skewed or multimodal. Computational studies on five datasets, of which two are synthetically generated, illustrate clear advantages of our mixture-of-experts method for high-dimensional inputs, outperforming competitor models both in terms of validation metrics and visual inspection.  ( 2 min )

There are several opportunities for automation in healthcare that can improve clinician throughput. One such example is assistive tools to document diagnosis codes when clinicians write notes. We study the automation of medical code prediction using curriculum learning, which is a training strategy for machine learning models that gradually increases the hardness of the learning tasks from easy to difficult. One of the challenges in curriculum learning is the design of curricula -- i.e., in the sequential design of tasks that gradually increase in difficulty. We propose Hierarchical Curriculum Learning (HiCu), an algorithm that uses graph structure in the space of outputs to design curricula for multi-label classification. We create curricula for multi-label classification models that predict ICD diagnosis and procedure codes from natural language descriptions of patients. By leveraging the hierarchy of ICD codes, which groups diagnosis codes based on various organ systems in the human body, we find that our proposed curricula improve the generalization of neural network-based predictive models across recurrent, convolutional, and transformer-based architectures. Our code is available at https://github.com/wren93/HiCu-ICD.  ( 2 min )

Generative models for classification use the joint probability distribution of the class variable and the features to construct a decision rule. Among generative models, Bayesian networks and naive Bayes classifiers are the most commonly used and provide a clear graphical representation of the relationship among all variables. However, these have the disadvantage of highly restricting the type of relationships that could exist, by not allowing for context-specific independences. Here we introduce a new class of generative classifiers, called staged tree classifiers, which formally account for context-specific independence. They are constructed by a partitioning of the vertices of an event tree from which conditional independence can be formally read. The naive staged tree classifier is also defined, which extends the classic naive Bayes classifier whilst retaining the same complexity. An extensive simulation study shows that the classification accuracy of staged tree classifiers is competitive with that of state-of-the-art classifiers and an example showcases their use in practice.  ( 2 min )

Classical communication paradigms focus on accurately transmitting bits over a noisy channel, and Shannon theory provides a fundamental theoretical limit on the rate of reliable communications. In this approach, bits are treated equally, and the communication system is oblivious to what meaning these bits convey or how they would be used. Future communications towards intelligence and conciseness will predictably play a dominant role, and the proliferation of connected intelligent agents requires a radical rethinking of coded transmission paradigm to support the new communication morphology on the horizon. The recent concept of "semantic communications" offers a promising research direction. Injecting semantic guidance into the coded transmission design to achieve semantics-aware communications shows great potential for further breakthrough in effectiveness and reliability. This article sheds light on semantics-guided source and channel coding as a transmission paradigm of semantic communications, which exploits both data semantics diversity and wireless channel diversity together to boost the whole system performance. We present the general system architecture and key techniques, and indicate some open issues on this topic.  ( 2 min )

Time-to-event analysis (survival analysis) is used when the outcome or the response of interest is the time until a pre-specified event occurs. Time-to-event data are sometimes discrete either because time itself is discrete or due to grouping of failure times into intervals or rounding off measurements. In addition, the failure of an individual could be one of several distinct failure types; known as competing risks (events). This work focuses on discrete-time regression with competing events. We emphasize the main difference between the continuous and discrete settings with competing events, develop a faster estimation algorithm, and present PyDTS, an open source Python package which implements our procedure and other tools for discrete-time-survival analysis with competing risks.  ( 2 min )

Dynamical systems across many disciplines are modeled as interacting particles or agents, with interaction rules that depend on a very small number of variables (e.g. pairwise distances, pairwise differences of phases, etc...), functions of the state of pairs of agents. Yet, these interaction rules can generate self-organized dynamics, with complex emergent behaviors (clustering, flocking, swarming, etc.). We propose a learning technique that, given observations of states and velocities along trajectories of the agents, yields both the variables upon which the interaction kernel depends and the interaction kernel itself, in a nonparametric fashion. This yields an effective dimension reduction which avoids the curse of dimensionality from the high-dimensional observation data (states and velocities of all the agents). We demonstrate the learning capability of our method to a variety of first-order interacting systems.  ( 2 min )

Nowadays, pre-training big models on large-scale datasets has become a crucial topic in deep learning. The pre-trained models with high representation ability and transferability achieve a great success and dominate many downstream tasks in natural language processing and 2D vision. However, it is non-trivial to promote such a pretraining-tuning paradigm to the 3D vision, given the limited training data that are relatively inconvenient to collect. In this paper, we provide a new perspective of leveraging pre-trained 2D knowledge in 3D domain to tackle this problem, tuning pre-trained image models with the novel Point-to-Pixel prompting for point cloud analysis at a minor parameter cost. Following the principle of prompting engineering, we transform point clouds into colorful images with geometry-preserved projection and geometry-aware coloring to adapt to pre-trained image models, whose weights are kept frozen during the end-to-end optimization of point cloud analysis tasks. We conduct extensive experiments to demonstrate that cooperating with our proposed Point-to-Pixel Prompting, better pre-trained image model will lead to consistently better performance in 3D vision. Enjoying prosperous development from image pre-training field, our method attains 89.3% accuracy on the hardest setting of ScanObjectNN, surpassing conventional point cloud models with much fewer trainable parameters. Our framework also exhibits very competitive performance on ModelNet classification and ShapeNet Part Segmentation. Code is available at https://github.com/wangzy22/P2P

In this paper, we study the importance of pruning in Deep Networks (DNs) and the yin & yang relationship between (1) pruning highly overparametrized DNs that have been trained from random initialization and (2) training small DNs that have been "cleverly" initialized. As in most cases practitioners can only resort to random initialization, there is a strong need to develop a grounded understanding of DN pruning. Current literature remains largely empirical, lacking a theoretical understanding of how pruning affects DNs' decision boundary, how to interpret pruning, and how to design corresponding principled pruning techniques. To tackle those questions, we propose to employ recent advances in the theoretical analysis of Continuous Piecewise Affine (CPA) DNs. From this perspective, we will be able to detect the early-bird (EB) ticket phenomenon, provide interpretability into current pruning techniques, and develop a principled pruning strategy. In each step of our study, we conduct extensive experiments supporting our claims and results; while our main goal is to enhance the current understanding towards DN pruning instead of developing a new pruning method, our spline pruning criteria in terms of layerwise and global pruning is on par with or even outperforms state-of-the-art pruning methods.

We study multi-agent reinforcement learning (MARL) with centralized training and decentralized execution. During the training, new agents may join, and existing agents may unexpectedly leave the training. In such situations, a standard deep MARL model must be trained again from scratch, which is very time-consuming. To tackle this problem, we propose a special network architecture with a few-shot learning algorithm that allows the number of agents to vary during centralized training. In particular, when a new agent joins the centralized training, our few-shot learning algorithm trains its policy network and value network using a small number of samples; when an agent leaves the training, the training process of the remaining agents is not affected. Our experiments show that using the proposed network architecture and algorithm, model adaptation when new agents join can be 100+ times faster than the baseline. Our work is applicable to any setting, including cooperative, competitive, and mixed.  ( 2 min )

Amid growing environmental concerns, interactive displays of data constitute an important tool for exploring and understanding the impact of climate change on the planet's ecosystemic integrity. This paper presents Tokyo kion-on, a query-based sonification model of Tokyo's air temperature from 1876 to 2021. The system uses a recurrent neural network architecture known as LSTM with attention trained on a small dataset of Japanese melodies and conditioned upon said atmospheric data. After describing the model's implementation, a brief comparative illustration of the musical results is presented, along with a discussion on how the exposed hyper-parameters can promote active and non-linear exploration of the data.  ( 2 min )

Reinforcement Learning (RL) techniques have drawn great attention in many challenging tasks, but their performance deteriorates dramatically when applied to real-world problems. Various methods, such as domain randomization, have been proposed to deal with such situations by training agents under different environmental setups, and therefore they can be generalized to different environments during deployment. However, they usually do not incorporate the underlying environmental factor information that the agents interact with properly and thus can be overly conservative when facing changes in the surroundings. In this paper, we first formalize the task of adapting to changing environmental dynamics in RL as a generalization problem using Contextual Markov Decision Processes (CMDPs). We then propose the Asymmetric Actor-Critic in Contextual RL (AACC) as an end-to-end actor-critic method to deal with such generalization tasks. We demonstrate the essential improvements in the performance of AACC over existing baselines experimentally in a range of simulated environments.  ( 2 min )

There has been an increased interest in applying machine learning techniques on relational structured-data based on an observed graph. Often, this graph is not fully representative of the true relationship amongst nodes. In these settings, building a generative model conditioned on the observed graph allows to take the graph uncertainty into account. Various existing techniques either rely on restrictive assumptions, fail to preserve topological properties within the samples or are prohibitively expensive for larger graphs. In this work, we introduce the node copying model for constructing a distribution over graphs. Sampling of a random graph is carried out by replacing each node's neighbors by those of a randomly sampled similar node. The sampled graphs preserve key characteristics of the graph structure without explicitly targeting them. Additionally, sampling from this model is extremely simple and scales linearly with the nodes. We show the usefulness of the copying model in three tasks. First, in node classification, a Bayesian formulation based on node copying achieves higher accuracy in sparse data settings. Second, we employ our proposed model to mitigate the effect of adversarial attacks on the graph topology. Last, incorporation of the model in a recommendation system setting improves recall over state-of-the-art methods.  ( 3 min )

We extend conformal prediction to control the expected value of any monotone loss function. The algorithm generalizes split conformal prediction together with its coverage guarantee. Like conformal prediction, the conformal risk control procedure is tight up to an $\mathcal{O}(1/n)$ factor. Worked examples from computer vision and natural language processing demonstrate the usage of our algorithm to bound the false negative rate, graph distance, and token-level F1-score.  ( 2 min )

We extend conformal prediction to control the expected value of any monotone loss function. The algorithm generalizes split conformal prediction together with its coverage guarantee. Like conformal prediction, the conformal risk control procedure is tight up to an $\mathcal{O}(1/n)$ factor. Worked examples from computer vision and natural language processing demonstrate the usage of our algorithm to bound the false negative rate, graph distance, and token-level F1-score.  ( 2 min )

This work establishes low test error of gradient flow (GF) and stochastic gradient descent (SGD) on two-layer ReLU networks with standard initialization, in three regimes where key sets of weights rotate little (either naturally due to GF and SGD, or due to an artificial constraint), and making use of margins as the core analytic technique. The first regime is near initialization, specifically until the weights have moved by $\mathcal{O}(\sqrt m)$, where $m$ denotes the network width, which is in sharp contrast to the $\mathcal{O}(1)$ weight motion allowed by the Neural Tangent Kernel (NTK); here it is shown that GF and SGD only need a network width and number of samples inversely proportional to the NTK margin, and moreover that GF attains at least the NTK margin itself, which suffices to establish escape from bad KKT points of the margin objective, whereas prior work could only establish nondecreasing but arbitrarily small margins. The second regime is the Neural Collapse (NC) setting, where data lies in extremely-well-separated groups, and the sample complexity scales with the number of groups; here the contribution over prior work is an analysis of the entire GF trajectory from initialization. Lastly, if the inner layer weights are constrained to change in norm only and can not rotate, then GF with large widths achieves globally maximal margins, and its sample complexity scales with their inverse; this is in contrast to prior work, which required infinite width and a tricky dual convergence assumption. As purely technical contributions, this work develops a variety of potential functions and other tools which will hopefully aid future work.

Exponential families are widely used in machine learning, including many distributions in continuous and discrete domains (e.g., Gaussian, Dirichlet, Poisson, and categorical distributions via the softmax transformation). Distributions in each of these families have fixed support. In contrast, for finite domains, recent work on sparse alternatives to softmax (e.g., sparsemax, $\alpha$-entmax, and fusedmax), has led to distributions with varying support. This paper develops sparse alternatives to continuous distributions, based on several technical contributions: First, we define $\Omega$-regularized prediction maps and Fenchel-Young losses for arbitrary domains (possibly countably infinite or continuous). For linearly parametrized families, we show that minimization of Fenchel-Young losses is equivalent to moment matching of the statistics, generalizing a fundamental property of exponential families. When $\Omega$ is a Tsallis negentropy with parameter $\alpha$, we obtain ``deformed exponential families,'' which include $\alpha$-entmax and sparsemax ($\alpha=2$) as particular cases. For quadratic energy functions, the resulting densities are $\beta$-Gaussians, an instance of elliptical distributions that contain as particular cases the Gaussian, biweight, triweight, and Epanechnikov densities, and for which we derive closed-form expressions for the variance, Tsallis entropy, and Fenchel-Young loss. When $\Omega$ is a total variation or Sobolev regularizer, we obtain a continuous version of the fusedmax. Finally, we introduce continuous-domain attention mechanisms, deriving efficient gradient backpropagation algorithms for $\alpha \in \{1, 4/3, 3/2, 2\}$. Using these algorithms, we demonstrate our sparse continuous distributions for attention-based audio classification and visual question answering, showing that they allow attending to time intervals and compact regions.

We investigate nonlinear prediction in an online setting and introduce a hybrid model that effectively mitigates, via an end-to-end architecture, the need for hand-designed features and manual model selection issues of conventional nonlinear prediction/regression methods. In particular, we use recursive structures to extract features from sequential signals, while preserving the state information, i.e., the history, and boosted decision trees to produce the final output. The connection is in an end-to-end fashion and we jointly optimize the whole architecture using stochastic gradient descent, for which we also provide the backward pass update equations. In particular, we employ a recurrent neural network (LSTM) for adaptive feature extraction from sequential data and a gradient boosting machinery (soft GBDT) for effective supervised regression. Our framework is generic so that one can use other deep learning architectures for feature extraction (such as RNNs and GRUs) and machine learning algorithms for decision making as long as they are differentiable. We demonstrate the learning behavior of our algorithm on synthetic data and the significant performance improvements over the conventional methods over various real life datasets. Furthermore, we openly share the source code of the proposed method to facilitate further research.  ( 3 min )

The ocean is filled with microscopic microalgae called phytoplankton, which together are responsible for as much photosynthesis as all plants on land combined. Our ability to predict their response to the warming ocean relies on understanding how the dynamics of phytoplankton populations is influenced by changes in environmental conditions. One powerful technique to study the dynamics of phytoplankton is flow cytometry, which measures the optical properties of thousands of individual cells per second. Today, oceanographers are able to collect flow cytometry data in real-time onboard a moving ship, providing them with fine-scale resolution of the distribution of phytoplankton across thousands of kilometers. One of the current challenges is to understand how these small and large scale variations relate to environmental conditions, such as nutrient availability, temperature, light and ocean currents. In this paper, we propose a novel sparse mixture of multivariate regressions model to estimate the time-varying phytoplankton subpopulations while simultaneously identifying the specific environmental covariates that are predictive of the observed changes to these subpopulations. We demonstrate the usefulness and interpretability of the approach using both synthetic data and real observations collected on an oceanographic cruise conducted in the north-east Pacific in the spring of 2017.  ( 3 min )

Bayesian Optimization is a methodology for global optimization of unknown and expensive objectives. It combines a surrogate Bayesian regression model with an acquisition function to decide where to evaluate the objective. Typical regression models are Gaussian processes with stationary covariance functions, which, however, are unable to express prior input-dependent information, in particular information about possible locations of the optimum. The ubiquity of stationary models has led to the common practice of exploiting prior information via informative mean functions. In this paper, we highlight that these models can lead to poor performance, especially in high dimensions. We propose novel informative covariance functions that leverage nonstationarity to encode preferences for certain regions of the search space and adaptively promote local exploration during the optimization. We demonstrate that they can increase the sample efficiency of the optimization in high dimensions, even under weak prior information.  ( 2 min )

Neural network pruning has been an essential technique to reduce the computation and memory requirements for using deep neural networks for resource-constrained devices. Most existing research focuses primarily on balancing the sparsity and accuracy of a pruned neural network by strategically removing insignificant parameters and retraining the pruned model. Such efforts on reusing training samples pose serious privacy risks due to increased memorization, which, however, has not been investigated yet. In this paper, we conduct the first analysis of privacy risks in neural network pruning. Specifically, we investigate the impacts of neural network pruning on training data privacy, i.e., membership inference attacks. We first explore the impact of neural network pruning on prediction divergence, where the pruning process disproportionately affects the pruned model's behavior for members and non-members. Meanwhile, the influence of divergence even varies among different classes in a fine-grained manner. Enlighten by such divergence, we proposed a self-attention membership inference attack against the pruned neural networks. Extensive experiments are conducted to rigorously evaluate the privacy impacts of different pruning approaches, sparsity levels, and adversary knowledge. The proposed attack shows the higher attack performance on the pruned models when compared with eight existing membership inference attacks. In addition, we propose a new defense mechanism to protect the pruning process by mitigating the prediction divergence based on KL-divergence distance, whose effectiveness has been experimentally demonstrated to effectively mitigate the privacy risks while maintaining the sparsity and accuracy of the pruned models.  ( 3 min )

The approaches by which the machine learning and clinical research communities utilize real world data (RWD), including data captured in the electronic health record (EHR), vary dramatically. While clinical researchers cautiously use RWD for clinical investigations, ML for healthcare teams consume public datasets with minimal scrutiny to develop new algorithms. This study bridges this gap by developing and validating ML-DQA, a data quality assurance framework grounded in RWD best practices. The ML-DQA framework is applied to five ML projects across two geographies, different medical conditions, and different cohorts. A total of 2,999 quality checks and 24 quality reports were generated on RWD gathered on 247,536 patients across the five projects. Five generalizable practices emerge: all projects used a similar method to group redundant data element representations; all projects used automated utilities to build diagnosis and medication data elements; all projects used a common library of rules-based transformations; all projects used a unified approach to assign data quality checks to data elements; and all projects used a similar approach to clinical adjudication. An average of 5.8 individuals, including clinicians, data scientists, and trainees, were involved in implementing ML-DQA for each project and an average of 23.4 data elements per project were either transformed or removed in response to ML-DQA. This study demonstrates the importance role of ML-DQA in healthcare projects and provides teams a framework to conduct these essential activities.  ( 3 min )

The R package DoubleML implements the double/debiased machine learning framework of Chernozhukov et al. (2018). It provides functionalities to estimate parameters in causal models based on machine learning methods. The double machine learning framework consist of three key ingredients: Neyman orthogonality, high-quality machine learning estimation and sample splitting. Estimation of nuisance components can be performed by various state-of-the-art machine learning methods that are available in the mlr3 ecosystem. DoubleML makes it possible to perform inference in a variety of causal models, including partially linear and interactive regression models and their extensions to instrumental variable estimation. The object-oriented implementation of DoubleML enables a high flexibility for the model specification and makes it easily extendable. This paper serves as an introduction to the double machine learning framework and the R package DoubleML. In reproducible code examples with simulated and real data sets, we demonstrate how DoubleML users can perform valid inference based on machine learning methods.  ( 2 min )

We commonly assume that data are a homogeneous set of observations when learning the structure of Bayesian networks. However, they often comprise different data sets that are related but not homogeneous because they have been collected in different ways or from different populations. In our previous work (Azzimonti, Corani and Scutari, 2021), we proposed a closed-form Bayesian Hierarchical Dirichlet score for discrete data that pools information across related data sets to learn a single encompassing network structure, while taking into account the differences in their probabilistic structures. In this paper, we provide an analogous solution for learning a Bayesian network from continuous data using mixed-effects models to pool information across the related data sets. We study its structural, parametric, predictive and classification accuracy and we show that it outperforms both conditional Gaussian Bayesian networks (that do not perform any pooling) and classical Gaussian Bayesian networks (that disregard the heterogeneous nature of the data). The improvement is marked for low sample sizes and for unbalanced data sets.  ( 2 min )

We present a new nonparametric mixture-of-experts model for multivariate regression problems, inspired by the probabilistic k-nearest neighbors algorithm. Using a conditionally specified model, predictions for out-of-sample inputs are based on similarities to each observed data point, yielding predictive distributions represented by Gaussian mixtures. Posterior inference is performed on the parameters of the mixture components as well as the distance metric using a mean-field variational Bayes algorithm accompanied with a stochastic gradient-based optimization procedure. The proposed method is especially advantageous in settings where inputs are of relatively high dimension in comparison to the data size, where input-output relationships are complex, and where predictive distributions may be skewed or multimodal. Computational studies on five datasets, of which two are synthetically generated, illustrate clear advantages of our mixture-of-experts method for high-dimensional inputs, outperforming competitor models both in terms of validation metrics and visual inspection.  ( 2 min )

Generative models for classification use the joint probability distribution of the class variable and the features to construct a decision rule. Among generative models, Bayesian networks and naive Bayes classifiers are the most commonly used and provide a clear graphical representation of the relationship among all variables. However, these have the disadvantage of highly restricting the type of relationships that could exist, by not allowing for context-specific independences. Here we introduce a new class of generative classifiers, called staged tree classifiers, which formally account for context-specific independence. They are constructed by a partitioning of the vertices of an event tree from which conditional independence can be formally read. The naive staged tree classifier is also defined, which extends the classic naive Bayes classifier whilst retaining the same complexity. An extensive simulation study shows that the classification accuracy of staged tree classifiers is competitive with that of state-of-the-art classifiers and an example showcases their use in practice.  ( 2 min )

Time-to-event analysis (survival analysis) is used when the outcome or the response of interest is the time until a pre-specified event occurs. Time-to-event data are sometimes discrete either because time itself is discrete or due to grouping of failure times into intervals or rounding off measurements. In addition, the failure of an individual could be one of several distinct failure types; known as competing risks (events). This work focuses on discrete-time regression with competing events. We emphasize the main difference between the continuous and discrete settings with competing events, develop a faster estimation algorithm, and present PyDTS, an open source Python package which implements our procedure and other tools for discrete-time-survival analysis with competing risks.  ( 2 min )

Graph Attention Networks(GATs) are useful deep learning models to deal with the graph data. However, recent works show that the classical GAT is vulnerable to adversarial attacks. It degrades dramatically with slight perturbations. Therefore, how to enhance the robustness of GAT is a critical problem. Robust GAT(RoGAT) is proposed in this paper to improve the robustness of GAT based on the revision of the attention mechanism. Different from the original GAT, which uses the attention mechanism for different edges but is still sensitive to the perturbation, RoGAT adds an extra dynamic attention score progressively and improves the robustness. Firstly, RoGAT revises the edges weight based on the smoothness assumption which is quite common for ordinary graphs. Secondly, RoGAT further revises the features to suppress features' noise. Then, an extra attention score is generated by the dynamic edge's weight and can be used to reduce the impact of adversarial attacks. Different experiments against targeted and untargeted attacks on citation data on citation data demonstrate that RoGAT outperforms most of the recent defensive methods.  ( 2 min )

There has been an increased interest in applying machine learning techniques on relational structured-data based on an observed graph. Often, this graph is not fully representative of the true relationship amongst nodes. In these settings, building a generative model conditioned on the observed graph allows to take the graph uncertainty into account. Various existing techniques either rely on restrictive assumptions, fail to preserve topological properties within the samples or are prohibitively expensive for larger graphs. In this work, we introduce the node copying model for constructing a distribution over graphs. Sampling of a random graph is carried out by replacing each node's neighbors by those of a randomly sampled similar node. The sampled graphs preserve key characteristics of the graph structure without explicitly targeting them. Additionally, sampling from this model is extremely simple and scales linearly with the nodes. We show the usefulness of the copying model in three tasks. First, in node classification, a Bayesian formulation based on node copying achieves higher accuracy in sparse data settings. Second, we employ our proposed model to mitigate the effect of adversarial attacks on the graph topology. Last, incorporation of the model in a recommendation system setting improves recall over state-of-the-art methods.  ( 3 min )

We develop heuristic interpolation methods for the functions $t \mapsto \log \det \left( \mathbf{A} + t \mathbf{B} \right)$ and $t \mapsto \operatorname{trace}\left( (\mathbf{A} + t \mathbf{B})^{p} \right)$ where the matrices $\mathbf{A}$ and $\mathbf{B}$ are Hermitian and positive (semi) definite and $p$ and $t$ are real variables. These functions are featured in many applications in statistics, machine learning, and computational physics. The presented interpolation functions are based on the modification of sharp bounds for these functions. We demonstrate the accuracy and performance of the proposed method with numerical examples, namely, the marginal maximum likelihood estimation for Gaussian process regression and the estimation of the regularization parameter of ridge regression with the generalized cross-validation method.  ( 2 min )

Meta-Learning algorithms for few-shot learning aim to train neural networks capable of generalizing to novel tasks using only a few examples. Early-stopping is critical for performance, halting model training when it reaches optimal generalization to the new task distribution. Early-stopping mechanisms in Meta-Learning typically rely on measuring the model performance on labeled examples from a meta-validation set drawn from the training (source) dataset. This is problematic in few-shot transfer learning settings, where the meta-test set comes from a different target dataset (OOD) and can potentially have a large distributional shift with the meta-validation set. In this work, we propose Activation Based Early-stopping (ABE), an alternative to using validation-based early-stopping for meta-learning. Specifically, we analyze the evolution, during meta-training, of the neural activations at each hidden layer, on a small set of unlabelled support examples from a single task of the target tasks distribution, as this constitutes a minimal and justifiably accessible information from the target problem. Our experiments show that simple, label agnostic statistics on the activations offer an effective way to estimate how the target generalization evolves over time. At each hidden layer, we characterize the activation distributions, from their first and second order moments, then further summarized along the feature dimensions, resulting in a compact yet intuitive characterization in a four-dimensional space. Detecting when, throughout training time, and at which layer, the target activation trajectory diverges from the activation trajectory of the source data, allows us to perform early-stopping and improve generalization in a large array of few-shot transfer learning settings, across different algorithms, source and target datasets.  ( 3 min )

Reinforcement Learning (RL) techniques have drawn great attention in many challenging tasks, but their performance deteriorates dramatically when applied to real-world problems. Various methods, such as domain randomization, have been proposed to deal with such situations by training agents under different environmental setups, and therefore they can be generalized to different environments during deployment. However, they usually do not incorporate the underlying environmental factor information that the agents interact with properly and thus can be overly conservative when facing changes in the surroundings. In this paper, we first formalize the task of adapting to changing environmental dynamics in RL as a generalization problem using Contextual Markov Decision Processes (CMDPs). We then propose the Asymmetric Actor-Critic in Contextual RL (AACC) as an end-to-end actor-critic method to deal with such generalization tasks. We demonstrate the essential improvements in the performance of AACC over existing baselines experimentally in a range of simulated environments.  ( 2 min )

In this paper, we propose a parametrised factor that enables inference on Gaussian networks where linear dependencies exist among the random variables. Our factor representation is effectively a generalisation of traditional Gaussian parametrisations where the positive-definite constraint of the covariance matrix has been relaxed. For this purpose, we derive various statistical operations and results (such as marginalisation, multiplication and affine transformations of random variables) that extend the capabilities of Gaussian factors to these degenerate settings. By using this principled factor definition, degeneracies can be accommodated accurately and automatically at little additional computational cost. As illustration, we apply our methodology to a representative example involving recursive state estimation of cooperative mobile robots.  ( 2 min )

Sum-of-norms clustering is a convex optimization problem whose solution can be used for the clustering of multivariate data. We propose and study a localized version of this method, and show in particular that it can separate arbitrarily close balls in the stochastic ball model. More precisely, we prove a quantitative bound on the error incurred in the clustering of disjoint connected sets. Our bound is expressed in terms of the number of datapoints and the localization length of the functional.  ( 2 min )

Voice conversion is a common speech synthesis task which can be solved in different ways depending on a particular real-world scenario. The most challenging one often referred to as one-shot many-to-many voice conversion consists in copying the target voice from only one reference utterance in the most general case when both source and target speakers do not belong to the training dataset. We present a scalable high-quality solution based on diffusion probabilistic modeling and demonstrate its superior quality compared to state-of-the-art one-shot voice conversion approaches. Moreover, focusing on real-time applications, we investigate general principles which can make diffusion models faster while keeping synthesis quality at a high level. As a result, we develop a novel Stochastic Differential Equations solver suitable for various diffusion model types and generative tasks as shown through empirical studies and justify it by theoretical analysis.  ( 2 min )

This paper concerns the convergence of empirical measures in high dimensions. We propose a new class of metrics and show that under such metrics, the convergence is free of the curse of dimensionality (CoD). Such a feature is critical for high-dimensional analysis and stands in contrast to classical metrics ({\it e.g.}, the Wasserstein distance). The proposed metrics originate from the maximum mean discrepancy, which we generalize by proposing specific criteria for selecting test function spaces to guarantee the property of being free of CoD. Therefore, we call this class of metrics the generalized maximum mean discrepancy (GMMD). Examples of the selected test function spaces include the reproducing kernel Hilbert space, Barron space, and flow-induced function spaces. Three applications of the proposed metrics are presented: 1. The convergence of empirical measure in the case of random variables; 2. The convergence of $n$-particle system to the solution to McKean-Vlasov stochastic differential equation; 3. The construction of an $\varepsilon$-Nash equilibrium for a homogeneous $n$-player game by its mean-field limit. As a byproduct, we prove that, given a distribution close to the target distribution measured by GMMD and a certain representation of the target distribution, we can generate a distribution close to the target one in terms of the Wasserstein distance and relative entropy. Overall, we show that the proposed class of metrics is a powerful tool to analyze the convergence of empirical measures in high dimensions without CoD.  ( 3 min )

Learning from raw data input, thus limiting the need for feature engineering, is a component of many successful applications of machine learning methods in various domains. While many problems naturally translate into a vector representation directly usable in standard classifiers, a number of data sources have the natural form of structured data interchange formats (e.g., security logs in JSON/XML format). Existing methods, such as in Hierarchical Multiple Instance Learning (HMIL), allow learning from such data in their raw form. However, the explanation of the classifiers trained on raw structured data remains largely unexplored. By treating these models as sub-set selections problems, we demonstrate how interpretable explanations, with favourable properties, can be generated using computationally efficient algorithms. We compare to an explanation technique adopted from graph neural networks showing an order of magnitude speed-up and higher-quality explanations.  ( 2 min )

One of the most important problems arising in time series analysis is that of bifurcation, or change point detection. That is, given a collection of time series over a varying parameter, when has the structure of the underlying dynamical system changed? For this task, we turn to the field of topological data analysis (TDA), which encodes information about the shape and structure of data. The idea of utilizing tools from TDA for signal processing tasks, known as topological signal processing (TSP), has gained much attention in recent years, largely through a standard pipeline that computes the persistent homology of the point cloud generated by the Takens' embedding. However, this procedure is limited by computation time since the simplicial complex generated in this case is large, but also has a great deal of redundant data. For this reason, we turn to a more recent method for encoding the structure of the attractor, which constructs an ordinal partition network (OPN) representing information about when the dynamical system has passed between certain regions of state space. The result is a weighted graph whose structure encodes information about the underlying attractor. Our previous work began to find ways to package the information of the OPN in a manner that is amenable to TDA; however, that work only used the network structure and did nothing to encode the additional weighting information. In this paper, we take the next step: building a pipeline to analyze the weighted OPN with TDA and showing that this framework provides more resilience to noise or perturbations in the system and improves the accuracy of the dynamic state detection.  ( 3 min )

In most applications of model-based Markov decision processes, the parameters for the unknown underlying model are often estimated from the empirical data. Due to noise, the policy learnedfrom the estimated model is often far from the optimal policy of the underlying model. When applied to the environment of the underlying model, the learned policy results in suboptimal performance, thus calling for solutions with better generalization performance. In this work we take a Bayesian perspective and regularize the objective function of the Markov decision process with prior information in order to obtain more robust policies. Two approaches are proposed, one based on $L^1$ regularization and the other on relative entropic regularization. We evaluate our proposed algorithms on synthetic simulations and on real-world search logs of a large scale online shopping store. Our results demonstrate the robustness of regularized MDP policies against the noise present in the models.  ( 2 min )

Importance weighting is a general way to adjust Monte Carlo integration to account for draws from the wrong distribution, but the resulting estimate can be highly variable when the importance ratios have a heavy right tail. This routinely occurs when there are aspects of the target distribution that are not well captured by the approximating distribution, in which case more stable estimates can be obtained by modifying extreme importance ratios. We present a new method for stabilizing importance weights using a generalized Pareto distribution fit to the upper tail of the distribution of the simulated importance ratios. The method, which empirically performs better than existing methods for stabilizing importance sampling estimates, includes stabilized effective sample size estimates, Monte Carlo error estimates, and convergence diagnostics. The presented Pareto $\hat{k}$ finite sample convergence rate diagnostic is useful for any Monte Carlo estimator.  ( 3 min )

Systems biology seeks to create math models of biological systems to reduce inherent biological complexity and provide predictions for applications such as therapeutic development. However, it remains a challenge to determine which math model is correct and how to arrive optimally at the answer. We present an algorithm for automated biological model selection using mathematical models of systems biology and likelihood free inference methods. Our algorithm shows improved performance in arriving at correct models without a priori information over conventional heuristics used in experimental biology and random search. This method shows promise to accelerate biological basic science and drug discovery.  ( 2 min )

We provide a convergence analysis of gradient descent for the problem of agnostically learning a single ReLU function under Gaussian distributions. Unlike prior work that studies the setting of zero bias, we consider the more challenging scenario when the bias of the ReLU function is non-zero. Our main result establishes that starting from random initialization, in a polynomial number of iterations gradient descent outputs, with high probability, a ReLU function that achieves a competitive error guarantee when compared to the error of the best ReLU function. We also provide finite sample guarantees, and these techniques generalize to a broader class of marginal distributions beyond Gaussians.  ( 2 min )

The Mixture-of-Experts (MoE) layer, a sparsely-activated model controlled by a router, has achieved great success in deep learning. However, the understanding of such architecture remains elusive. In this paper, we formally study how the MoE layer improves the performance of neural network learning and why the mixture model will not collapse into a single model. Our empirical results suggest that the cluster structure of the underlying problem and the non-linearity of the expert are pivotal to the success of MoE. To further understand this, we consider a challenging classification problem with intrinsic cluster structures, which is hard to learn using a single expert. Yet with the MoE layer, by choosing the experts as two-layer nonlinear convolutional neural networks (CNNs), we show that the problem can be learned successfully. Furthermore, our theory shows that the router can learn the cluster-center features, which helps divide the input complex problem into simpler linear classification sub-problems that individual experts can conquer. To our knowledge, this is the first result towards formally understanding the mechanism of the MoE layer for deep learning.  ( 2 min )

ever since i started to work after phd, i'm noticing more and more that engineering customized systems is crucial (minor details like initializations, learning rates, schedulers etc can save or waste hundreds of hours), and writing bad, nonmodular code is one of the worst offenders in killing productivity. also, i work in generative modeling and noticed the whole community relies on a handful of people's code, passed over again and again in hundreds of papers (diffusion, stylegan based work, a lot of gan implementations, transformers etc). i'm not saying every new work should rewrite their codebase from scratch, but sometimes i try to test out code and modify it, and it is actually easier if had just written the whole thing (or parts of it i need to have control over) from scratch. also, i don't believe you actually rewrite everything from scratch, but bring together lego blocks and expand (a good example is how this gentleman implemented tons of gans, it's essentially compounding of knowledge where each new paper is usually only slightly different from the previous ones: https://github.com/eriklindernoren) recently, i started studying lucidrains' (https://github.com/lucidrains) and crowsonkb's (https://github.com/crowsonkb) code. i sit down, put the paper pdf one side and the code another, act like it's flashcards, hide the code, and try to rewrite the correct function. maybe it's a terrible way of learning (i already know the method described in the paper, but cannot implement it at this point), but seems to help (open to suggestions!). the people i mentioned above code like poetry (there is always some errors and not always faithful to the original implementations, but that's ok). i'm wondering do you know anyone like these guys i can just absorb information from? can be any kind of machine learning. i use only python, and like pytorch, tf 2 (hate tf 1), and started dipping my toe in jax. submitted by /u/onzanzo [link] [comments]  ( 89 min )

If you are reviewing for NeurIPS this year, have you already read & responded to the rebuttals posted by the authors? submitted by /u/OpeningVariable [link] [comments]  ( 113 min )

The only work that I have seen is Objectron, and that is definitely not open source. I am simply not able to find a generic paper that does 3d bounding box regression for a multi object scene submitted by /u/soulslicer0 [link] [comments]  ( 107 min )

I'm still a bit of an ML noob, so this might be my inexperience talking, but why is so much research in ML experimental? My understanding is that areas such as physics have a strong experimental branch because they study already existing systems, but this doesn't seem to be the case with ML. I mean, we study mathematical objects, so it seems to me that we should be trying to understand them as such. ​ Like, if someone wants to propose a shortest path algorithm, they report its time complexity, not that it took 1min on average to run it, right? submitted by /u/apple_tau [link] [comments]  ( 94 min )

Is there any place at all, taking C and C++ into consideration submitted by /u/ZuleZI [link] [comments]  ( 110 min )

Most of the knowledge base of modern AI/DL lives in papers, not on traditional books, unlike many other fields. This is mostly because AI/DL is so fast-paced, it is nearly impossible to write up-to-date book and keep it up-to-date. Publishing books the formal way requires tremendous effort by authors and publishing agency. Some have done it, like Goodfellow, Courville, Bengio and Kevin Murphy. But they are also likely to be outdated within few years as new algorithms emerge. Papers are difficult to read for non-experts/moderately-skilled workforces. Sometimes, different papers have very different notation and writing style which is confusing. Different authors have different "mental model" of the same concepts. So they aren't really unified. Is it possible to have open-source collaborative books (maybe a latex project hosted on Github, for example) where people (original authors or others) can submit new algorithms or changes as they appear in conferences and a group of "book maintainers" merge them depending on whether their notations/interpretations are compatible with the rest of the book. It's like Wikipedia, but much more curated and geared toward specific topic(s). Q: Is there any such successful projects like this, specifically for AI/DL ? submitted by /u/dasayan05 [link] [comments]  ( 88 min )

I used to think that machine learning was about the models. Actually, machine learning in production is about pipelines. One of the best predictors of success is the ability to effectively iterate on your model pipeline. That doesn't just mean iterating quickly, but also iterating intelligently. The second part is crucial, otherwise you end up with a pipeline that produces bad models very quickly. https://thegradient.pub/lessons-from-deploying-deep-learning-to-production/ submitted by /u/pgao_aquarium [link] [comments]  ( 87 min )

A ML/DL journal (keeping it anonymous for now) is taking a very long time to review a submitted paper. The journal's speed metrics page mentions that average time of review is 6-7 weeks. Our paper has been in review for more than 21 weeks. We have tried communicating with the editor three weeks ago, and also emailed the staff two weeks ago. No one has replied yet. We also spoke with a support official via chat and he/she mentions, "Rest assured that the Editors are doing their best to expedite the process. Once the Editors have completed and evaluated all the reviewer recommendation, they will provide the decision in due course." It has been one more week since this conversation and we have not received any communication yet. Yesterday we sent out another mail (as a reply to the previous email thread), but no one has replied yet. No one seems to be very open to communication. Can anyone please tell us what to do? submitted by /u/FastestLearner [link] [comments]  ( 112 min )

So I’ve been getting tired of googling and getting stackoverflow when I already know what library I want, and not being able to search those libraries docs because of their rudimentary keyword based searches. Thus, I decided to make a search tool for open-source python libraries (with a focus on ML libraries, since that's mostly what I work on) thats curated for actual developers and permits natural language queries. I’m gonna keep this free as long as I can, so it'd be wonderful to get feedback from anybody who'd be up to give it a try. Check it out at https://www.pysearch.com and please feel free to share with anybody else you know who might benefit from this! submitted by /u/oodmb [link] [comments]  ( 89 min )

Hi! I've decided to enter the black hole known as "machine learning" and after scowering through the reddit I came accross this lovely post: https://www.reddit.com/r/MachineLearning/comments/5z8110/d_a_super_harsh_guide_to_machine_learning/?ref=share&ref_source=link I noticed some people suggest that a better way to get started would be reading "Introduction to Statistical Learning" instead. I was wondering which chapters of introduction to statisical learning are a must-read before starting the elements of statistical learning? I was also curious as to wether there were other learning paths you all would suggest in contrary to the post I shared. I have pre-req math up until calculus 3 (vector calc) and linear algebra knowledge; I have also been coding for roughly 6 months in python. Thank you for your help. Have a good day! submitted by /u/h3cker999 [link] [comments]  ( 88 min )

Hello, I would like to watch the talks/videos for accepted ICML 2022 papers. In the past, these used to be available for free at https://slideslive.com/library. For example, the oral presentations (https://icml.cc/virtual/2022/events/oral) cannot be accessed without registration. However, with the conference being over, registrations are closed already. Any ideas and tips on how to watch the videos would be very appreciated. Thanks! submitted by /u/solingermuc [link] [comments]  ( 88 min )

Hi all, I recently had some bad experiences with the ACL Rolling Review (ARR) and I wanted to know if my experience was typical and if there is anything I can do: - I've emailed ARR multiple times and I've never gotten a response, whether it was their support, tech, or editors email. These emails have included a request for tech support (I couldn't attach software to my submission) and a request for the status of reviews. - I received a meta-review (2) that gave a much lower score than any of the review scores I received (3.5, 3.5, 4, 4) which all had medium to high confidence (3, 5, 4, 4). The weaknesses and strengths given in the meta-review were different than those in the other reviews, which leads me to believe the meta-review was written like an independent review. The weaknesses given also did not seem to justify my low meta-review score. Has anyone else had similar experiences with ARR and does anyone have any advice about what to do? submitted by /u/Chrysomallo [link] [comments]  ( 90 min )

We’re currently using AWS EKS with GPU enabled VMs to train our models and host the service that uses them to serve inferences, but the costs are killing us, so recently I’ve been looking for alternatives. Most of solutions I’ve found are either not that different from AWS in terms of pricing, or new, and I’m anxious about migrating our setup to something that could one day teleport our work to the trash can because they’ve run out of investor money or tell me that they can’t provision me a GPU because their data center doesn’t have any left. Do you guys have any recommendations for a cloud GPU provider that’s cheaper than AWS, but proven and reliable? submitted by /u/rj00na [link] [comments]  ( 89 min )

Hello everyone, I am trying to assess what would be the best sources of information to remain updated on the latest ML tools / frameworks. Could you share what is your favorite media category? If one option is not present, it would be great if you could write it down :) View Poll submitted by /u/Separate-Still3770 [link] [comments]  ( 115 min )

I want to create a face detection network for a dataset of around 520 people. I have the code ready for the face detection and all the data loaders but I am struggling with which model/approach to go for. I have roughly about 25-30 pictures per person so what would be the most accurate way to go about this? submitted by /u/Normal_Gift927 [link] [comments]  ( 92 min )

I have to make my final year project. I am proficient in full-stack web development and I need to make a project which also uses AI (ML or Deep Learning). Can you all suggest a good and useful project? Thanks in advance. submitted by /u/piyush_saha [link] [comments]  ( 111 min )

Hi all, I've been writing a new textbook. It's titled "Understanding Deep Learning" and will be published by MIT press. A partial draft is now available at: https://udlbook.github.io/udlbook/ It's not the most applied book (it has no code) and it's not the most theoretical book (it has no proofs). The goal is exactly as the title suggests -- to allow the reader to understand the core ideas underpinning modern deep learning techniques in the simplest way. To this end, I've drawn a lot of new figures, and tried to come up with new and clearer explanations rather than rehash existing descriptions. I would love feedback from: Students. Which parts did you find confusing or ambiguous? Instructors. Will this book help your teaching? If not, then how could it be improved? Experts. Are there any glaring absences or mistakes? Please feel free to share and redistribute this link as you see fit. The more people that read this draft, the better the final product will be. submitted by /u/SimonJDPrince [link] [comments]  ( 90 min )

What does it mean to combine PixelCNN with the VQ-VAE model ? ( and how do you it ? ) submitted by /u/rishok [link] [comments]  ( 105 min )

Cam you recommend the best book for learning information theory? I am a psych grad student, doing a lot of work with machine learning, and while I think I have educated myself in linear algebra, I have heard that it is also useful to learn information theory if one is to work with deep learning and related topics. Can you recommend some resources to learn information theory? submitted by /u/Hub_Pli [link] [comments]  ( 87 min )

An offshoot from the thread discussing Canadian and European unis for ML phds. Lots of papers come from Chinese Universities, even smaller ones like Xiamen U, but then again churning out papers en masse isn’t a metric we should value too much. How is the international recognition of a degree from these places? submitted by /u/SocialEngineeeing [link] [comments]  ( 88 min )

https://github.com/lansiz/nash-finder This program helps to find Nash equilibrium (NE) for any type of games. It is especially useful for those games with more than two players, which oftentimes are unsolvable. Example 1: find NE for two-person games ​ Payoff bimatrix of two-person game import grm game = grm.Game() # two playeys, and each player uses THREE pure strategies game.player_join(grm.Player(3)) game.player_join(grm.Player(3)) game.player_init_mixed_strategies() # assign the payoff (define the payoff function) # player 1 game.player_assign_payoff(1, "11", -231) game.player_assign_payoff(1, "12", -505) game.player_assign_payoff(1, "13", 525) game.player_assign_payoff(1, "21", -552) game.player_assign_payoff(1, "22", 831) game.player_assign_payoff(1, "23", -928) game.player_a…  ( 90 min )

I am open sourcing my Kaggle Pipeline for Tabular Data Competitions. It is the result of hundreds of hours I have spent working through various competitions. This project will fast forward journey of a Kaggle newbie by several months. github: https://github.com/arnabbiswas1/kaggle_pipeline_tps_aug_22 Kaggle Discussion: https://www.kaggle.com/competitions/tabular-playground-series-aug-2022/discussion/341120 submitted by /u/abiswa [link] [comments]  ( 87 min )

We all know Colab, Gradient, Kaggle, etc. Any obscure/new free cloud GPU providers that are not talked about enough? Even if they're not ultra powerful. submitted by /u/No_Application_5581 [link] [comments]  ( 87 min )

Please critique my theory of everything. Looking to explore any logic I may be missing. https://docs.google.com/document/d/1lbrExCLuLh9yWvUPG_gx9l2bTEay-7naT2hgBJUU5zU/edit submitted by /u/averythomas [link] [comments]  ( 87 min )

I am a beginner with little experience in machine learning and I'm thinking of starting a project with my beginners mates (object detection project). Although I have a background in deep learning, and computer vision (I took Kaggle's courses), I have never applied what I learned and have no idea what I should do next, so I would appreciate any suggestions, advice, or mentorship you could provide. submitted by /u/this-is-the-admin [link] [comments]  ( 87 min )

I used `pip install gym[atari]` to install the ALE on a machine on papersapce. However I am unable to run my code using the Atari library, this is the error message I get : `File "/home/paperspace/.local/lib/python3.8/site-packages/gym/envs/atari/environment.py", line 196, in seed self.ale.loadROM(getattr(roms, self._game)) RuntimeError: Failed to initialize SDL` I had no issues installing and running ALE on my local machine but somehow it doesn't work on the remote machine. Could use a helping hand please, let me know if you've ever had this issue or if you know how to solve it. Thanks in advance. submitted by /u/youneskamel2 [link] [comments]  ( 87 min )

Is there a simple to digest resource to understand the math behind contextual bandits and how it works. I understand UCB. Also, I am following this good text https://arxiv.org/abs/1904.07272, but it's thick and takes time to develop an intuition for the algorithms. And almost all videos and blogs are a tease! Thanks in advance. submitted by /u/sap2022 [link] [comments]  ( 86 min )

I am looking to solve the dm-control manipulator environment and have been struggling when using SAC or PPO, after a billion time steps the agent still isn't learning. So was going to try a model based method such as MPPI but since I'm not as familiar with model based methods I wanted to know what the state of the art is, preferably something we'll documented too would be helpful :) submitted by /u/SuperDuperDooken [link] [comments]  ( 86 min )

Hi, I'm trying to understand how using multiple running threads works. Say you have 12 environments. As far as I understood, you pass a 12 x n vector as actions in the step function. Then, the step functions gives you back a 12 x n vector as observation, rewards, etc. Is this correct? submitted by /u/No_Possibility_7588 [link] [comments]  ( 86 min )

I coded in a DQN (without any target network). For some reason, the algorithm fails to learn any meaningful policy. Here's my code. I will highly appreciate any and all suggestions and criticisms :) ​ #!/usr/bin/env python # coding: utf-8 # In[66]: # Here we import all libraries import numpy as np import gym import matplotlib.pyplot as plt import os import torch import random from torch import nn from torch.utils.data import DataLoader from torchvision import datasets, transforms from collections import deque import sys env = gym.make("CartPole-v0") # In[67]: #Hyperparameters episodes = 20000 eps = 1.0 learning_rate = 0.001 tot_rewards = [] tot_loss = [] decay_val = 0.0001 mem_size = 5000 batch_size = 100 gamma = 0.99 max_steps = 200 # In[68]: class NeuralNetwork(nn.Module): def __init__…  ( 88 min )

submitted by /u/TheExtimate [link] [comments]  ( 85 min )

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https://preview.redd.it/cla8bb3lqqf91.jpg?width=1256&format=pjpg&auto=webp&s=e277f9013fff22c6e2e12128c46058d0a81c1974 Programming Function from Description Code to Explanation Fix invalid Code Translate Languages Class from Description Get Language from Code Function from Docstring Helpers Regex from Description Regex to Explanation Linux Command Get time complexity Git Command from Description Database Text Description to SQL Command Web Generate HTML from Description CSS from Description Meta Tags from Description I think this could be helpful to a lot of people (especially for beginner programmers). You can check out all functionalities on your own here: programming-helper.com Have fun using the tool ❤️ submitted by /u/Capital_Revolution35 [link] [comments]  ( 86 min )

I make Minecraft mods in my free time but am terrible at art so I always pay an artists to make pixel art sprites for me. Is there an AI I can use or pay for that will generate 16x16 high quality pixel art? I saw that Dalle-2 was very impressive at this but obviously it is not available to me : submitted by /u/Swftness503 [link] [comments]  ( 86 min )

Found a nice experiment on using sensor fusion and machine learning to detect smoke and get notified if the fire starts. Check this out: https://www.hackster.io/stefanblattmann/real-time-smoke-detection-with-ai-based-sensor-fusion-1086e6 submitted by /u/Potsieramirez [link] [comments]  ( 86 min )

So I’ve been getting tired of googling and getting stackoverflow when I already know what library I want, and not being able to search those libraries docs because of their rudimentary keyword based searches. Thus, I decided to make a search tool for open-source python libraries (with a focus on ML libraries, since that’s mostly what I work on) thats curated for actual developers and permits natural language queries. I’m gonna keep this free as long as I can, so it'd be wonderful to get feedback from anybody who'd be up to give it a try. Check it out at https://www.pysearch.com and please feel free to share with anybody else you know who might benefit from this! submitted by /u/oodmb [link] [comments]  ( 86 min )

are there any AI-image generator platforms to produce higher resolution pictures? I'm talking around 3000x3000 that I could use for a commercial project. Willing to pay. How does the copyright / ownership of the project work? submitted by /u/hampark [link] [comments]  ( 86 min )

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I've been looking around but haven't found anything to he able to input a library if my own images and then have a new image generated from the set ... I'm not a coder, I do have some rudimentary skills to be able to install and run something ... but I have delved into it and still haven't found something that does this..plenty of text to image, generate images based on an already trained library...but what I really want is to throw a few hundred images into something and have it spit out a high-res image based in my own inputs. Any suggestions for what I can use for this? submitted by /u/IrikanjiToys [link] [comments]  ( 87 min )

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Some of the most significant developments in AI have come through supervised learning. It speaks about computer learning models that have been trained using annotated data. However, reliance on data annotation is increasingly untenable as the size of commercial AI models grows. The new paradigm of generalizable intelligence, in which models can pick up new ideas and transfer knowledge from one language or task to another without much human input, is being investigated by researchers at Alexa AI. These models enable researchers to create new features and enhance Alexa across several languages quickly. As part of this change, Amazon has introduced Alexa Teacher Models (AlexaTM), which are massive transformer-based multilingual language models. Without additional human guidance, AlexaTM can learn a task in a new language with just a few instances and pick it up quickly. ✅ With an encoder-decoder architecture — rather than decoder only — the Alexa Teacher Model excels other large language models on few-shot tasks such as summarization and machine translation. ✅ AlexaTM 20B also tops GPT-3 by being multilingual, supporting Arabic, English, French, German, Hindi, Italian, Japanese, Marathi, Portuguese, Spanish, Tamil, and Telugu. ✅ Its carbon footprint during training is only one-fifth of GPT-3’s Continue reading| Checkout the paper submitted by /u/ai-lover [link] [comments]  ( 91 min )

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Innovative technologies in AI, virtual worlds and digital humans are shaping the future of design and content creation across every industry. Experience the latest advances from NVIDIA in all these areas at SIGGRAPH, the world’s largest gathering of computer graphics experts, running Aug. 8-11. At the conference, creators, developers, engineers, researchers and students will see Read article > The post Dive Into AI, Avatars and the Metaverse With NVIDIA at SIGGRAPH appeared first on NVIDIA Blog.  ( 6 min )

Imagine hiking to a lake on a summer day — sitting under a shady tree and watching the water gleam under the sun. In this scene, the differences between light and shadow are examples of direct and indirect lighting. The sun shines onto the lake and the trees, making the water look like it’s shimmering Read article > The post What Is Direct and Indirect Lighting? appeared first on NVIDIA Blog.  ( 8 min )

Pinterest has engineered a way to serve its photo-sharing community more of the images they love. The social-image service, with more than 400 million monthly active users, has trained bigger recommender models for improved accuracy at predicting people’s interests. Pinterest handles hundreds of millions of user requests an hour on any given day. And it Read article > The post Pinterest Boosts Home Feed Engagement 16% With Switch to GPU Acceleration of Recommenders appeared first on NVIDIA Blog.  ( 6 min )

It’s the first GFN Thursday of the month and you know the drill — GeForce NOW is bringing a big batch of games to the cloud. Get ready for 38 exciting titles like Saints Row and Rumbleverse arriving on the GeForce NOW library in August. Members can kick off the month streaming 13 new games Read article > The post Rush Into August This GFN Thursday With 38 New Games on GeForce NOW appeared first on NVIDIA Blog.  ( 6 min )

Posted by Bingyi Cao, Software Engineer, Google Research, and Mário Lipovský, Software Engineer, Google Lens Computer vision models see daily application for a wide variety of tasks, ranging from object recognition to image-based 3D object reconstruction. One challenging type of computer vision problem is instance-level recognition (ILR) — given an image of an object, the task is to not only determine the generic category of an object (e.g., an arch), but also the specific instance of the object (”Arc de Triomphe de l'Étoile, Paris, France”). Previously, ILR was tackled using deep learning approaches. First, a large set of images was collected. Then a deep model was trained to embed each image into a high-dimensional space where similar images have similar representations. Finally, the …  ( 25 min )

This is a guest post by Viktor Enrico Jeney, Senior Machine Learning Engineer at Adspert. Adspert is a Berlin-based ISV that developed a bid management tool designed to automatically optimize performance marketing and advertising campaigns. The company’s core principle is to automate maximization of profit of ecommerce advertising with the help of artificial intelligence. The […]  ( 11 min )

submitted by /u/oodmb [link] [comments]  ( 85 min )

I was testing DALL-E 2 to see if it would be subject to some common incorrect assumptions about the sizes of things. For example if you asked people what size a kiwi bird is, they tend to assume it's a smallish bird, maybe around the size of a  ( 4 min )

AI Weirdness: the strange side of machine learning  ( 2 min )

If you can build a Machine Learning model — you should be able to deploy it  ( 13 min )

Artificial intelligence (AI) is a technology that can be used in many different industries to help businesses achieve their goals. For…  ( 12 min )

In combinatorial causal bandits (CCB), the learning agent chooses at most $K$ variables in each round to intervene, collects feedback from the observed variables, with the goal of minimizing expected regret on the target variable $Y$. Different from all prior studies on causal bandits, CCB needs to deal with exponentially large action space. We study under the context of binary generalized linear models (BGLMs) with a succinct parametric representation of the causal models. We present the algorithm BGLM-OFU for Markovian BGLMs (i.e. no hidden variables) based on the maximum likelihood estimation method, and show that it achieves $O(\sqrt{T}\log T)$ regret, where $T$ is the time horizon. For the special case of linear models with hidden variables, we apply causal inference techniques such as the do-calculus to convert the original model into a Markovian model, and then show that our BGLM-OFU algorithm and another algorithm based on the linear regression both solve such linear models with hidden variables. Our novelty includes (a) considering the combinatorial intervention action space, (b) considering general causal models including ones with hidden variables, (c) integrating and adapting techniques from diverse studies such as generalized linear bandits and online influence maximization, and (d) not relying on unrealistic assumptions such as knowing the joint distribution of the parents of $Y$ under all interventions used in some prior studies.

As one of the most popular machine learning models today, graph neural networks (GNNs) have attracted intense interest recently, and so does their explainability. Users are increasingly interested in a better understanding of GNN models and their outcomes. Unfortunately, today's evaluation frameworks for GNN explainability often rely on synthetic datasets, leading to conclusions of limited scope due to a lack of complexity in the problem instances. As GNN models are deployed to more mission-critical applications, we are in dire need for a common evaluation protocol of explainability methods of GNNs. In this paper, we propose, to our best knowledge, the first systematic evaluation framework for GNN explainability, considering explainability on three different "user needs:" explanation focus, mask nature, and mask transformation. We propose a unique metric that combines the fidelity measures and classify explanations based on their quality of being sufficient or necessary. We scope ourselves to node classification tasks and compare the most representative techniques in the field of input-level explainability for GNNs. For the widely used synthetic benchmarks, surprisingly shallow techniques such as personalized PageRank have the best performance for a minimum computation time. But when the graph structure is more complex and nodes have meaningful features, gradient-based methods, in particular Saliency, are the best according to our evaluation criteria. However, none dominates the others on all evaluation dimensions and there is always a trade-off. We further apply our evaluation protocol in a case study on eBay graphs to reflect the production environment.

Widely observed neural scaling laws, in which error falls off as a power of the training set size, model size, or both, have driven substantial performance improvements in deep learning. However, these improvements through scaling alone require considerable costs in compute and energy. Here we focus on the scaling of error with dataset size and show how both in theory and practice we can break beyond power law scaling and reduce it to exponential scaling instead if we have access to a high-quality data pruning metric that ranks the order in which training examples should be discarded to achieve any pruned dataset size. We then test this new exponential scaling prediction with pruned dataset size empirically, and indeed observe better than power law scaling performance on ResNets trained on CIFAR-10, SVHN, and ImageNet. Given the importance of finding high-quality pruning metrics, we perform the first large-scale benchmarking study of ten different data pruning metrics on ImageNet. We find most existing high performing metrics scale poorly to ImageNet, while the best are computationally intensive and require labels for every image. We therefore developed a new simple, cheap and scalable self-supervised pruning metric that demonstrates comparable performance to the best supervised metrics. Overall, our work suggests that the discovery of good data-pruning metrics may provide a viable path forward to substantially improved neural scaling laws, thereby reducing the resource costs of modern deep learning.

Existing deep learning-enabled semantic communication systems often rely on shared background knowledge between the transmitter and receiver that includes empirical data and their associated semantic information. In practice, the semantic information is defined by the pragmatic task of the receiver and cannot be known to the transmitter. The actual observable data at the transmitter can also have non-identical distribution with the empirical data in the shared background knowledge library. To address these practical issues, this paper proposes a new neural network-based semantic communication system for image transmission, where the task is unaware at the transmitter and the data environment is dynamic. The system consists of two main parts, namely the semantic coding (SC) network and the data adaptation (DA) network. The SC network learns how to extract and transmit the semantic information using a receiver-leading training process. By using the domain adaptation technique from transfer learning, the DA network learns how to convert the data observed into a similar form of the empirical data that the SC network can process without retraining. Numerical experiments show that the proposed method can be adaptive to observable datasets while keeping high performance in terms of both data recovery and task execution.

Cognitive psychologists often use the term $\textit{fluid intelligence}$ to describe the ability of humans to solve novel tasks without any prior training. In contrast to humans, deep neural networks can perform cognitive tasks only after extensive (pre-)training with a large number of relevant examples. Motivated by fluid intelligence research in the cognitive sciences, we built a benchmark task which we call sequence consistency evaluation (SCE) that can be used to address this gap. Solving the SCE task requires the ability to extract simple rules from sequences, a basic computation that in humans, is required for solving various intelligence tests. We tested $\textit{untrained}$ (naive) deep learning models in the SCE task. Specifically, we tested two networks that can learn latent relations, Relation Networks (RN) and Contrastive Predictive Coding (CPC). We found that the latter, which imposes a causal structure on the latent relations performs better. We then show that naive few-shot learning of sequences can be successfully used for anomaly detection in two different tasks, visual and auditory, without any prior training.

The evaluation of the free energy of a stochastic model is considered a significant issue in various fields of physics and machine learning. However, the exact free energy evaluation is computationally infeasible because the free energy expression includes an intractable partition function. Annealed importance sampling (AIS) is a type of importance sampling based on the Markov chain Monte Carlo method that is similar to a simulated annealing and can effectively approximate the free energy. This study proposes an AIS-based approach, which is referred to as marginalized AIS (mAIS). The statistical efficiency of mAIS is investigated in detail based on theoretical and numerical perspectives. Based on the investigation, it is proved that mAIS is more effective than AIS under a certain condition.

Training machine learning algorithms is a computationally intensive process, which is frequently memory-bound due to repeatedly accessing large training datasets. As a result, processor-centric systems (e.g., CPU, GPU) suffer from costly data movement between memory units and processing units, which consumes large amounts of energy and execution cycles. Memory-centric computing systems, i.e., computing systems with processing-in-memory (PIM) capabilities, can alleviate this data movement bottleneck. Our goal is to understand the potential of modern general-purpose PIM architectures to accelerate machine learning training. To do so, we (1) implement several representative classic machine learning algorithms (namely, linear regression, logistic regression, decision tree, K-means clustering) on a real-world general-purpose PIM architecture, (2) characterize them in terms of accuracy, performance and scaling, and (3) compare to their counterpart implementations on CPU and GPU. Our experimental evaluation on a memory-centric computing system with more than 2500 PIM cores shows that general-purpose PIM architectures can greatly accelerate memory-bound machine learning workloads, when the necessary operations and datatypes are natively supported by PIM hardware. To our knowledge, our work is the first one to evaluate training of machine learning algorithms on a real-world general-purpose PIM architecture.

The labels used to train machine learning (ML) models are of paramount importance. Typically for ML classification tasks, datasets contain hard labels, yet learning using soft labels has been shown to yield benefits for model generalization, robustness, and calibration. Earlier work found success in forming soft labels from multiple annotators' hard labels; however, this approach may not converge to the best labels and necessitates many annotators, which can be expensive and inefficient. We focus on efficiently eliciting soft labels from individual annotators. We collect and release a dataset of soft labels for CIFAR-10 via a crowdsourcing study ($N=248$). We demonstrate that learning with our labels achieves comparable model performance to prior approaches while requiring far fewer annotators. Our elicitation methodology therefore shows promise towards enabling practitioners to enjoy the benefits of improved model performance and reliability with fewer annotators, and serves as a guide for future dataset curators on the benefits of leveraging richer information, such as categorical uncertainty, from individual annotators.

Deep learning has become a one-size-fits-all solution for technical and business domains thanks to its flexibility and adaptability. It is implemented using opaque models, which unfortunately undermines the outcome trustworthiness. In order to have a better understanding of the behavior of a system, particularly one driven by time series, a look inside a deep learning model so-called posthoc eXplainable Artificial Intelligence (XAI) approaches, is important. There are two major types of XAI for time series data, namely model-agnostic and model-specific. Model-specific approach is considered in this work. While other approaches employ either Class Activation Mapping (CAM) or Attention Mechanism, we merge the two strategies into a single system, simply called the Temporally Weighted Spatiotemporal Explainable Neural Network for Multivariate Time Series (TSEM). TSEM combines the capabilities of RNN and CNN models in such a way that RNN hidden units are employed as attention weights for the CNN feature maps temporal axis. The result shows that TSEM outperforms XCM. It is similar to STAM in terms of accuracy, while also satisfying a number of interpretability criteria, including causality, fidelity, and spatiotemporality.

This paper studies a transferable phoneme embedding framework that aims to deal with the cross-lingual text-to-speech (TTS) problem under the few-shot setting. Transfer learning is a common approach when it comes to few-shot learning since training from scratch on few-shot training data is bound to overfit. Still, we find that the naive transfer learning approach fails to adapt to unseen languages under extremely few-shot settings, where less than 8 minutes of data is provided. We deal with the problem by proposing a framework that consists of a phoneme-based TTS model and a codebook module to project phonemes from different languages into a learned latent space. Furthermore, by utilizing phoneme-level averaged self-supervised learned features, we effectively improve the quality of synthesized speeches. Experiments show that using 4 utterances, which is about 30 seconds of data, is enough to synthesize intelligible speech when adapting to an unseen language using our framework.

To correct for respiratory motion in PET imaging, an interpretable and unsupervised deep learning technique, FlowNet-PET, was constructed. The network was trained to predict the optical flow between two PET frames from different breathing amplitude ranges. The trained model aligns different retrospectively-gated PET images, providing a final image with similar counting statistics as a non-gated image, but without the blurring effects. FlowNet-PET was applied to anthropomorphic digital phantom data, which provided the possibility to design robust metrics to quantify the corrections. When comparing the predicted optical flows to the ground truths, the median absolute error was found to be smaller than the pixel and slice widths. The improvements were illustrated by comparing against images without motion and computing the intersection over union (IoU) of the tumors as well as the enclosed activity and coefficient of variation (CoV) within the no-motion tumor volume before and after the corrections were applied. The average relative improvements provided by the network were 64%, 89%, and 75% for the IoU, total activity, and CoV, respectively. FlowNet-PET achieved similar results as the conventional retrospective phase binning approach, but only required one sixth of the scan duration. The code and data have been made publicly available (https://github.com/teaghan/FlowNet_PET).

Recently, a shift has been made in the field of Outcome-Oriented Predictive Process Monitoring (OOPPM) to use models from the eXplainable Artificial Intelligence paradigm, however the evaluation still occurs mainly through performance-based metrics not accounting for the implications and lack of actionability of the explanations. In this paper, we define explainability by the interpretability of the explanations (through the widely-used XAI properties parsimony and functional complexity) and the faithfulness of the explainability model (through monotonicity and level of disagreement). The introduced properties are analysed along the event, case, and control flow perspective that are typical of a process-based analysis. This allows to quantitatively compare, inter alia, inherently created explanations (e.g., logistic regression coefficients) with post-hoc explanations (e.g., Shapley values). Moreover, this paper contributes a guideline named X-MOP to practitioners to select the appropriate model based on the event log specifications and the task at hand, by providing insight into how the varying preprocessing, model complexity and post-hoc explainability techniques typical in OOPPM influence the explainability of the model. To this end, we benchmark seven classifiers on thirteen real-life events logs.

Area under the ROC curve, a.k.a. AUC, is a measure of choice for assessing the performance of a classifier for imbalanced data. AUC maximization refers to a learning paradigm that learns a predictive model by directly maximizing its AUC score. It has been studied for more than two decades dating back to late 90s and a huge amount of work has been devoted to AUC maximization since then. Recently, stochastic AUC maximization for big data and deep AUC maximization for deep learning have received increasing attention and yielded dramatic impact for solving real-world problems. However, to the best our knowledge there is no comprehensive survey of related works for AUC maximization. This paper aims to address the gap by reviewing the literature in the past two decades. We not only give a holistic view of the literature but also present detailed explanations and comparisons of different papers from formulations to algorithms and theoretical guarantees. We also identify and discuss remaining and emerging issues for deep AUC maximization, and provide suggestions on topics for future work.

Policy evaluation based on A/B testing has attracted considerable interest in digital marketing, but such evaluation in ride-sourcing platforms (e.g., Uber and Didi) is not well studied primarily due to the complex structure of their temporal and/or spatial dependent experiments. Motivated by policy evaluation in ride-sourcing platforms, the aim of this paper is to establish causal relationship between platform's policies and outcomes of interest under a switchback design. We propose a novel potential outcome framework based on a temporal varying coefficient decision process (VCDP) model to capture the dynamic treatment effects in temporal dependent experiments. We further characterize the average treatment effect by decomposing it as the sum of direct effect (DE) and indirect effect (IE). We develop estimation and inference procedures for both DE and IE. Furthermore, we propose a spatio-temporal VCDP to deal with spatiotemporal dependent experiments. For both VCDP models, we establish the statistical properties (e.g., weak convergence and asymptotic power) of our estimation and inference procedures. We conduct extensive simulations to investigate the finite-sample performance of the proposed estimation and inference procedures. We examine how our VCDP models can help improve policy evaluation for various dispatching and dispositioning policies in Didi.

Graph embedding methods including traditional shallow models and deep Graph Neural Networks (GNNs) have led to promising applications in recommendation. Nevertheless, shallow models especially random-walk-based algorithms fail to adequately exploit neighbor proximity in sampled subgraphs or sequences due to their optimization paradigm. GNN-based algorithms suffer from the insufficient utilization of high-order information and easily cause over-smoothing problems when stacking too much layers, which may deteriorate the recommendations of low-degree (long-tail) items, limiting the expressiveness and scalability. In this paper, we propose a novel framework SAC, namely Spatial Autoregressive Coding, to solve the above problems in a unified way. To adequately leverage neighbor proximity and high-order information, we design a novel spatial autoregressive paradigm. Specifically, we first randomly mask multi-hop neighbors and embed the target node by integrating all other surrounding neighbors with an explicit multi-hop attention. Then we reinforce the model to learn a neighbor-predictive coding for the target node by contrasting the coding and the masked neighbors' embedding, equipped with a new hard negative sampling strategy. To learn the minimal sufficient representation for the target-to-neighbor prediction task and remove the redundancy of neighbors, we devise Neighbor Information Bottleneck by maximizing the mutual information between target predictive coding and the masked neighbors' embedding, and simultaneously constraining those between the coding and surrounding neighbors' embedding. Experimental results on both public recommendation datasets and a real scenario web-scale dataset Douyin-Friend-Recommendation demonstrate the superiority of SAC compared with state-of-the-art methods.

Accurate kinodynamic models play a crucial role in many robotics applications such as off-road navigation and high-speed driving. Many state-of-the-art approaches in learning stochastic kinodynamic models, however, require precise measurements of robot states as labeled input/output examples, which can be hard to obtain in outdoor settings due to limited sensor capabilities and the absence of ground truth. In this work, we propose a new technique for learning neural stochastic kinodynamic models from noisy and indirect observations by performing simultaneous state estimation and dynamics learning. The proposed technique iteratively improves the kinodynamic model in an expectation-maximization loop, where the E Step samples posterior state trajectories using particle filtering, and the M Step updates the dynamics to be more consistent with the sampled trajectories via stochastic gradient ascent. We evaluate our approach on both simulation and real-world benchmarks and compare it with several baseline techniques. Our approach not only achieves significantly higher accuracy but is also more robust to observation noise, thereby showing promise for boosting the performance of many other robotics applications.

Applications of machine learning in healthcare often require working with time-to-event prediction tasks including prognostication of an adverse event, re-hospitalization or death. Such outcomes are typically subject to censoring due to loss of follow up. Standard machine learning methods cannot be applied in a straightforward manner to datasets with censored outcomes. In this paper, we present auton-survival, an open-source repository of tools to streamline working with censored time-to-event or survival data. auton-survival includes tools for survival regression, adjustment in the presence of domain shift, counterfactual estimation, phenotyping for risk stratification, evaluation, as well as estimation of treatment effects. Through real world case studies employing a large subset of the SEER oncology incidence data, we demonstrate the ability of auton-survival to rapidly support data scientists in answering complex health and epidemiological questions.

Recently, over-parameterized deep networks, with increasingly more network parameters than training samples, have dominated the performances of modern machine learning. However, when the training data is corrupted, it has been well-known that over-parameterized networks tend to overfit and do not generalize. In this work, we propose a principled approach for robust training of over-parameterized deep networks in classification tasks where a proportion of training labels are corrupted. The main idea is yet very simple: label noise is sparse and incoherent with the network learned from clean data, so we model the noise and learn to separate it from the data. Specifically, we model the label noise via another sparse over-parameterization term, and exploit implicit algorithmic regularizations to recover and separate the underlying corruptions. Remarkably, when trained using such a simple method in practice, we demonstrate state-of-the-art test accuracy against label noise on a variety of real datasets. Furthermore, our experimental results are corroborated by theory on simplified linear models, showing that exact separation between sparse noise and low-rank data can be achieved under incoherent conditions. The work opens many interesting directions for improving over-parameterized models by using sparse over-parameterization and implicit regularization.

Machine learning is gaining growing momentum in various recent models for the dynamic analysis of information flows in data communications networks. These preliminary models often rely on off-the-shelf learning models to predict from historical statistics while disregarding the physics governing the generating behaviors of these flows. This paper instead introduces Flow Neural Network (FlowNN) to improve the feature representation with learned physical bias. This is implemented by an induction layer, working upon the embedding layer, to impose the physics connected data correlations, and a self-supervised learning strategy with stop-gradient to make the learned physics universal. For the short-timescale network prediction tasks, FlowNN achieves 17% - 71% of loss decrease than the state-of-the-art baselines on both synthetic and real-world networking datasets, which shows the strength of this new approach. Code will be made available.

Optimizing parameterized quantum circuits is a key routine in using near-term quantum devices. However, the existing algorithms for such optimization require an excessive number of quantum-measurement shots for estimating expectation values of observables and repeating many iterations, whose cost has been a critical obstacle for practical use. We develop an efficient alternative optimization algorithm, stochastic gradient line Bayesian optimization (SGLBO), to address this problem. SGLBO reduces the measurement-shot cost by estimating an appropriate direction of updating circuit parameters based on stochastic gradient descent (SGD) and further utilizing Bayesian optimization (BO) to estimate the optimal step size for each iteration in SGD. In addition, we formulate an adaptive measurement-shot strategy and introduce a technique of suffix averaging to reduce the effect of statistical and hardware noise. Our numerical simulation demonstrates that the SGLBO augmented with these techniques can drastically reduce the measurement-shot cost, improve the accuracy, and make the optimization noise-robust.

Background: The field of software testing is growing and rapidly-evolving. Aims: Based on keywords assigned to publications, we seek to identify predominant research topics and understand how they are connected and have evolved. Method: We apply co-word analysis to map the topology of testing research as a network where author-assigned keywords are connected by edges indicating co-occurrence in publications. Keywords are clustered based on edge density and frequency of connection. We examine the most popular keywords, summarize clusters into high-level research topics, examine how topics connect, and examine how the field is changing. Results: Testing research can be divided into 16 high-level topics and 18 subtopics. Creation guidance, automated test generation, evolution and maintenance, and test oracles have particularly strong connections to other topics, highlighting their multidisciplinary nature. Emerging keywords relate to web and mobile apps, machine learning, energy consumption, automated program repair and test generation, while emerging connections have formed between web apps, test oracles, and machine learning with many topics. Random and requirements-based testing show potential decline. Conclusions: Our observations, advice, and map data offer a deeper understanding of the field and inspiration regarding challenges and connections to explore.

Due to its geometric properties, hyperbolic space can support high-fidelity embeddings of tree- and graph-structured data. As a result, various hyperbolic networks have been developed which outperform Euclidean networks on many tasks: e.g. hyperbolic graph convolutional networks (GCN) can outperform vanilla GCN on some graph learning tasks. However, most existing hyperbolic networks are complicated, computationally expensive, and numerically unstable -- and they cannot scale to large graphs due to these shortcomings. With more and more hyperbolic networks proposed, it is becoming less and less clear what key component is necessary to make the model behave. In this paper, we propose HyLa, a simple and minimal approach to using hyperbolic space in networks: HyLa maps once from a hyperbolic-space embedding to Euclidean space via the eigenfunctions of the Laplacian operator in the hyperbolic space. We evaluate HyLa on graph learning tasks including node classification and text classification, where HyLa can be used together with any graph neural networks. When used with a linear model, HyLa shows significant improvements over hyperbolic networks and other baselines.

Finding high-quality solutions to mixed-integer linear programming problems (MILPs) is of great importance for many practical applications. In this respect, the refinement heuristic local branching (LB) has been proposed to produce improving solutions and has been highly influential for the development of local search methods in MILP. The algorithm iteratively explores a sequence of solution neighborhoods defined by the so-called local branching constraint, namely, a linear inequality limiting the distance from a reference solution. For a LB algorithm, the choice of the neighborhood size is critical to performance. In this work, we study the relation between the size of the search neighborhood and the behavior of the underlying LB algorithm, and we devise a leaning based framework for predicting the best size for the specific instance to be solved. Furthermore, we have also investigated the relation between the time limit for exploring the LB neighborhood and the actual performance of LB scheme, and devised a strategy for adapting the time limit. We computationally show that the neighborhood size and time limit can indeed be learned, leading to improved performances and that the overall algorithm generalizes well both with respect to the instance size and, remarkably, across instances.

Heterogeneous Information Networks (HINs) are labeled graphs that depict relationships among different types of entities (e.g., users, movies and directors). For HINs, meta-path-based recommenders (MPRs) utilize meta-paths (i.e., abstract paths consisting of node and link types) to predict user preference, and have attracted a lot of attention due to their explainability and performance. We observe that the performance of MPRs is highly sensitive to the meta-paths they use, but existing works manually select the meta-paths from many possible ones. Thus, to discover effective meta-paths automatically, we propose the Reinforcement learning-based Meta-path Selection (RMS) framework. Specifically, we define a vector encoding for meta-paths and design a policy network to extend meta-paths. The policy network is trained based on the results of downstream recommendation tasks and an early stopping approximation strategy is proposed to speed up training. RMS is a general model, and it can work with all existing MPRs. We also propose a new MPR called RMS-HRec, which uses an attention mechanism to aggregate information from the meta-paths. We conduct extensive experiments on real datasets. Compared with the manually selected meta-paths, the meta-paths identified by RMS consistently improve recommendation quality. Moreover, RMS-HRec outperforms state-of-the-art recommender systems by an average of 7% in hit ratio. The codes and datasets are available on https://github.com/Stevenn9981/RMS-HRec.

This paper is concerned with constructing a confidence interval for a target policy's value offline based on a pre-collected observational data in infinite horizon settings. Most of the existing works assume no unmeasured variables exist that confound the observed actions. This assumption, however, is likely to be violated in real applications such as healthcare and technological industries. In this paper, we show that with some auxiliary variables that mediate the effect of actions on the system dynamics, the target policy's value is identifiable in a confounded Markov decision process. Based on this result, we develop an efficient off-policy value estimator that is robust to potential model misspecification and provide rigorous uncertainty quantification. Our method is justified by theoretical results, simulated and real datasets obtained from ridesharing companies. A Python implementation of the proposed procedure is available at https://github.com/Mamba413/cope.

Few-shot Time Series Classification (few-shot TSC) is a challenging problem in time series analysis. It is more difficult to classify when time series of the same class are not completely consistent in spectral domain or time series of different classes are partly consistent in spectral domain. To address this problem, we propose a novel method named Spectral Propagation Graph Network (SPGN) to explicitly model and propagate the spectrum-wise relations between different time series with graph network. To the best of our knowledge, SPGN is the first to utilize spectral comparisons in different intervals and involve spectral propagation across all time series with graph networks for few-shot TSC. SPGN first uses bandpass filter to expand time series in spectral domain for calculating spectrum-wise relations between time series. Equipped with graph networks, SPGN then integrates spectral relations with label information to make spectral propagation. The further study conveys the bi-directional effect between spectral relations acquisition and spectral propagation. We conduct extensive experiments on few-shot TSC benchmarks. SPGN outperforms state-of-the-art results by a large margin in $4\% \sim 13\%$. Moreover, SPGN surpasses them by around $12\%$ and $9\%$ under cross-domain and cross-way settings respectively.

Out-of-distribution (OOD) detection is critical to ensuring the reliability and safety of machine learning systems. For instance, in autonomous driving, we would like the driving system to issue an alert and hand over the control to humans when it detects unusual scenes or objects that it has never seen during training time and cannot make a safe decision. The term, OOD detection, first emerged in 2017 and since then has received increasing attention from the research community, leading to a plethora of methods developed, ranging from classification-based to density-based to distance-based ones. Meanwhile, several other problems, including anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD), are closely related to OOD detection in terms of motivation and methodology. Despite common goals, these topics develop in isolation, and their subtle differences in definition and problem setting often confuse readers and practitioners. In this survey, we first present a unified framework called generalized OOD detection, which encompasses the five aforementioned problems, i.e., AD, ND, OSR, OOD detection, and OD. Under our framework, these five problems can be seen as special cases or sub-tasks, and are easier to distinguish. We then review each of these five areas by summarizing their recent technical developments, with a special focus on OOD detection methodologies. We conclude this survey with open challenges and potential research directions.

In this paper, we present list autoencoder (listAE) to mimic list decoding used in classical coding theory. With listAE, the decoder network outputs a list of decoded message word candidates. To train the listAE, a genie is assumed to be available at the output of the decoder. A specific loss function is proposed to optimize the performance of a genie-aided (GA) list decoding. The listAE is a general framework and can be used with any AE architecture. We propose a specific architecture, referred to as incremental-redundancy AE (IR-AE), which decodes the received word on a sequence of component codes with non-increasing rates. Then, the listAE is trained and evaluated with both IR-AE and Turbo-AE. Finally, we employ cyclic redundancy check (CRC) codes to replace the genie at the decoder output and obtain a CRC aided (CA) list decoder. Our simulation results show that the IR-AE under CA list decoding demonstrates meaningful coding gain over Turbo-AE and polar code at low block error rates range.

When interacting with objects through cameras, or pictures, users often have a specific intent. For example, they may want to perform a visual search. With most object detection models relying on image pixels as their sole input, undesired results are not uncommon. Most typically: lack of a high-confidence detection on the object of interest, or detection with a wrong class label. The issue is especially severe when operating capacity-constrained mobile object detectors on-device. In this paper we investigate techniques to modulate mobile detectors to explicitly account for the user intent, expressed as an embedding of a simple query. Compared to standard detectors, query-modulated detectors show superior performance at detecting objects for a given user query. Thanks to large-scale training data synthesized from standard object detection annotations, query-modulated detectors also outperform a specialized referring expression recognition system. Query-modulated detectors can also be trained to simultaneously solve for both localizing a user query and standard detection, even outperforming standard mobile detectors at the canonical COCO task.

Studies in robot teleoperation have been centered around action specifications -- from continuous joint control to discrete end-effector pose control. However, these robot-centric interfaces often require skilled operators with extensive robotics expertise. To make teleoperation accessible to non-expert users, we propose the framework "Scene Editing as Teleoperation" (SEaT), where the key idea is to transform the traditional "robot-centric" interface into a "scene-centric" interface -- instead of controlling the robot, users focus on specifying the task's goal by manipulating digital twins of the real-world objects. As a result, a user can perform teleoperation without any expert knowledge of the robot hardware. To achieve this goal, we utilize a category-agnostic scene-completion algorithm that translates the real-world workspace (with unknown objects) into a manipulable virtual scene representation and an action-snapping algorithm that refines the user input before generating the robot's action plan. To train the algorithms, we procedurally generated a large-scale, diverse kit-assembly dataset that contains object-kit pairs that mimic real-world object-kitting tasks. Our experiments in simulation and on a real-world system demonstrate that our framework improves both the efficiency and success rate for 6DoF kit-assembly tasks. A user study demonstrates that SEaT framework participants achieve a higher task success rate and report a lower subjective workload compared to an alternative robot-centric interface. Video can be found at https://www.youtube.com/watch?v=-NdR3mkPbQQ .

Computing Nash equilibrium policies is a central problem in multi-agent reinforcement learning that has received extensive attention both in theory and in practice. However, provable guarantees have been thus far either limited to fully competitive or cooperative scenarios or impose strong assumptions that are difficult to meet in most practical applications. In this work, we depart from those prior results by investigating infinite-horizon \emph{adversarial team Markov games}, a natural and well-motivated class of games in which a team of identically-interested players -- in the absence of any explicit coordination or communication -- is competing against an adversarial player. This setting allows for a unifying treatment of zero-sum Markov games and Markov potential games, and serves as a step to model more realistic strategic interactions that feature both competing and cooperative interests. Our main contribution is the first algorithm for computing stationary $\epsilon$-approximate Nash equilibria in adversarial team Markov games with computational complexity that is polynomial in all the natural parameters of the game, as well as $1/\epsilon$. The proposed algorithm is particularly natural and practical, and it is based on performing independent policy gradient steps for each player in the team, in tandem with best responses from the side of the adversary; in turn, the policy for the adversary is then obtained by solving a carefully constructed linear program. Our analysis leverages non-standard techniques to establish the KKT optimality conditions for a nonlinear program with nonconvex constraints, thereby leading to a natural interpretation of the induced Lagrange multipliers. Along the way, we significantly extend an important characterization of optimal policies in adversarial (normal-form) team games due to Von Stengel and Koller (GEB `97).

The rise of machine-learning systems that process sensory input has brought with it a rise in comparisons between human and machine perception. But such comparisons face a challenge: Whereas machine perception of some stimulus can often be probed through direct and explicit measures, much of human perceptual knowledge is latent, incomplete, or unavailable for explicit report. Here, we explore how this asymmetry can cause such comparisons to misestimate the overlap in human and machine perception. As a case study, we consider human perception of \textit{adversarial speech} -- synthetic audio commands that are recognized as valid messages by automated speech-recognition systems but that human listeners reportedly hear as meaningless noise. In five experiments, we adapt task designs from the human psychophysics literature to show that even when subjects cannot freely transcribe such speech commands (the previous benchmark for human understanding), they often can demonstrate other forms of understanding, including discriminating adversarial speech from closely matched non-speech (Experiments 1--2), finishing common phrases begun in adversarial speech (Experiments 3--4), and solving simple math problems posed in adversarial speech (Experiment 5) -- even for stimuli previously described as unintelligible to human listeners. We recommend the adoption of such "sensitive tests" when comparing human and machine perception, and we discuss the broader consequences of such approaches for assessing the overlap between systems.

Motivated by the poor performance of cross-validation in settings where data are scarce, we propose a novel estimator of the out-of-sample performance of a policy in data-driven optimization.Our approach exploits the optimization problem's sensitivity analysis to estimate the gradient of the optimal objective value with respect to the amount of noise in the data and uses the estimated gradient to debias the policy's in-sample performance. Unlike cross-validation techniques, our approach avoids sacrificing data for a test set, utilizes all data when training and, hence, is well-suited to settings where data are scarce. We prove bounds on the bias and variance of our estimator for optimization problems with uncertain linear objectives but known, potentially non-convex, feasible regions. For more specialized optimization problems where the feasible region is "weakly-coupled" in a certain sense, we prove stronger results. Specifically, we provide explicit high-probability bounds on the error of our estimator that hold uniformly over a policy class and depends on the problem's dimension and policy class's complexity. Our bounds show that under mild conditions, the error of our estimator vanishes as the dimension of the optimization problem grows, even if the amount of available data remains small and constant. Said differently, we prove our estimator performs well in the small-data, large-scale regime. Finally, we numerically compare our proposed method to state-of-the-art approaches through a case-study on dispatching emergency medical response services using real data. Our method provides more accurate estimates of out-of-sample performance and learns better-performing policies.

This is a tutorial and survey paper on unification of spectral dimensionality reduction methods, kernel learning by Semidefinite Programming (SDP), Maximum Variance Unfolding (MVU) or Semidefinite Embedding (SDE), and its variants. We first explain how the spectral dimensionality reduction methods can be unified as kernel Principal Component Analysis (PCA) with different kernels. This unification can be interpreted as eigenfunction learning or representation of kernel in terms of distance matrix. Then, since the spectral methods are unified as kernel PCA, we say let us learn the best kernel for unfolding the manifold of data to its maximum variance. We first briefly introduce kernel learning by SDP for the transduction task. Then, we explain MVU in detail. Various versions of supervised MVU using nearest neighbors graph, by class-wise unfolding, by Fisher criterion, and by colored MVU are explained. We also explain out-of-sample extension of MVU using eigenfunctions and kernel mapping. Finally, we introduce other variants of MVU including action respecting embedding, relaxed MVU, and landmark MVU for big data.

Though deep neural network models exhibit outstanding performance for various applications, their large model size and extensive floating-point operations render deployment on mobile computing platforms a major challenge, and, in particular, on Internet of Things devices. One appealing solution is model quantization that reduces the model size and uses integer operations commonly supported by microcontrollers . To this end, a 1-bit quantized DNN model or deep binary neural network maximizes the memory efficiency, where each parameter in a BNN model has only 1-bit. In this paper, we propose a reconfigurable BNN (RBNN) to further amplify the memory efficiency for resource-constrained IoT devices. Generally, the RBNN can be reconfigured on demand to achieve any one of M (M>1) distinct tasks with the same parameter set, thus only a single task determines the memory requirements. In other words, the memory utilization is improved by times M. Our extensive experiments corroborate that up to seven commonly used tasks can co-exist (the value of M can be larger). These tasks with a varying number of classes have no or negligible accuracy drop-off on three binarized popular DNN architectures including VGG, ResNet, and ReActNet. The tasks span across different domains, e.g., computer vision and audio domains validated herein, with the prerequisite that the model architecture can serve those cross-domain tasks. To protect the intellectual property of an RBNN model, the reconfiguration can be controlled by both a user key and a device-unique root key generated by the intrinsic hardware fingerprint. By doing so, an RBNN model can only be used per paid user per authorized device, thus benefiting both the user and the model provider.

The dictionary learning problem, representing data as a combination of a few atoms, has long stood as a popular method for learning representations in statistics and signal processing. The most popular dictionary learning algorithm alternates between sparse coding and dictionary update steps, and a rich literature has studied its theoretical convergence. The success of dictionary learning relies on access to a "good" initial estimate of the dictionary and the ability of the sparse coding step to provide an unbiased estimate of the code. The growing popularity of unrolled sparse coding networks has led to the empirical finding that backpropagation through such networks performs dictionary learning. We offer the theoretical analysis of these empirical results through PUDLE, a Provable Unrolled Dictionary LEarning method. We provide conditions on the network initialization and data distribution sufficient to recover and preserve the support of the latent code. Additionally, we address two challenges; first, the vanilla unrolled sparse coding computes a biased code estimate, and second, gradients during backpropagated learning can become unstable. We show approaches to reduce the bias of the code estimate in the forward pass, and that of the dictionary estimate in the backward pass. We propose strategies to resolve the learning instability by tuning network parameters and modifying the loss function. Overall, we highlight the impact of loss, unrolling, and backpropagation on convergence. We complement our findings through synthetic and image denoising experiments. Finally, we demonstrate PUDLE's interpretability, a driving factor in designing deep networks based on iterative optimizations, by building a mathematical relation between network weights, its output, and the training set.

Despite impressive results, deep learning-based technologies also raise severe privacy and environmental concerns induced by the training procedure often conducted in data centers. In response, alternatives to centralized training such as Federated Learning (FL) have emerged. Perhaps unexpectedly, FL is starting to be deployed at a global scale by companies that must adhere to new legal demands and policies originating from governments and social groups advocating for privacy protection. \textit{However, the potential environmental impact related to FL remains unclear and unexplored. This paper offers the first-ever systematic study of the carbon footprint of FL.} First, we propose a rigorous model to quantify the carbon footprint, hence facilitating the investigation of the relationship between FL design and carbon emissions. Then, we compare the carbon footprint of FL to traditional centralized learning. Our findings show that, depending on the configuration, FL can emit up to two order of magnitude more carbon than centralized machine learning. However, in certain settings, it can be comparable to centralized learning due to the reduced energy consumption of embedded devices. We performed extensive experiments across different types of datasets, settings and various deep learning models with FL. Finally, we highlight and connect the reported results to the future challenges and trends in FL to reduce its environmental impact, including algorithms efficiency, hardware capabilities, and stronger industry transparency.

In human speech, the attitude of a speaker cannot be fully expressed only by the textual content. It has to come along with the intonation. Declarative questions are commonly used in daily Cantonese conversations, and they are usually uttered with rising intonation. Vanilla neural text-to-speech (TTS) systems are not capable of synthesizing rising intonation for these sentences due to the loss of semantic information. Though it has become more common to complement the systems with extra language models, their performance in modeling rising intonation is not well studied. In this paper, we propose to complement the Cantonese TTS model with a BERT-based statement/question classifier. We design different training strategies and compare their performance. We conduct our experiments on a Cantonese corpus named CanTTS. Empirical results show that the separate training approach obtains the best generalization performance and feasibility.

Quantization of Convolutional Neural Networks (CNNs) is a common approach to ease the computational burden involved in the deployment of CNNs, especially on low-resource edge devices. However, fixed-point arithmetic is not natural to the type of computations involved in neural networks. In this work, we explore ways to improve quantized CNNs using PDE-based perspective and analysis. First, we harness the total variation (TV) approach to apply edge-aware smoothing to the feature maps throughout the network. This aims to reduce outliers in the distribution of values and promote piece-wise constant maps, which are more suitable for quantization. Secondly, we consider symmetric and stable variants of common CNNs for image classification, and Graph Convolutional Networks (GCNs) for graph node-classification. We demonstrate through several experiments that the property of forward stability preserves the action of a network under different quantization rates. As a result, stable quantized networks behave similarly to their non-quantized counterparts even though they rely on fewer parameters. We also find that at times, stability even aids in improving accuracy. These properties are of particular interest for sensitive, resource-constrained, low-power or real-time applications like autonomous driving.

Hypoglycemia is an unpleasant phenomenon caused by low blood glucose. The disease can lead a person to death or a high level of body damage. To avoid significant damage, patients need sugar. The research aims at implementing an automatic system to detect hypoglycemia and perform automatic sugar injections to save a life. Receiving the benefits of the internet of things (IoT), the sensor data was transferred using the hypertext transfer protocol (HTTP) protocol. To ensure the safety of health-related data, blockchain technology was utilized. The glucose sensor and smartwatch data were processed via Fog and sent to the cloud. A Random Forest algorithm was proposed and utilized to decide hypoglycemic events. When the hypoglycemic event was detected, the system sent a notification to the mobile application and auto-injection device to push the condensed sugar into the victims body. XGBoost, k-nearest neighbors (KNN), support vector machine (SVM), and decision tree were implemented to compare the proposed models performance. The random forest performed 0.942 testing accuracy, better than other models in detecting hypoglycemic events. The systems performance was measured in several conditions, and satisfactory results were achieved. The system can benefit hypoglycemia patients to survive this disease.

Communications are realized as a result of successive decisions at the physical layer, from modulation selection to multi-antenna strategy, and each decision affects the performance of the communication systems. Future communication systems must include extensive capabilities as they will encompass a wide variety of devices and applications. Conventional physical layer decision mechanisms may not meet these requirements, as they are often based on impractical and oversimplifying assumptions that result in a trade-off between complexity and efficiency. By leveraging past experiences, learning-driven designs are promising solutions to present a resilient decision mechanism and enable rapid response even under exceptional circumstances. The corresponding design solutions should evolve following the lines of learning-driven paradigms that offer more autonomy and robustness. This evolution must take place by considering the facts of real-world systems and without restraining assumptions. In this paper, the common assumptions in the physical layer are presented to highlight their discrepancies with practical systems. As a solution, learning algorithms are examined by considering the implementation steps and challenges. Furthermore, these issues are discussed through a real-time case study using software-defined radio nodes to demonstrate the potential performance improvement. A cyber-physical framework is presented to incorporate future remedies.

Stochastic Neighbor Embedding (SNE) is a manifold learning and dimensionality reduction method with a probabilistic approach. In SNE, every point is consider to be the neighbor of all other points with some probability and this probability is tried to be preserved in the embedding space. SNE considers Gaussian distribution for the probability in both the input and embedding spaces. However, t-SNE uses the Student-t and Gaussian distributions in these spaces, respectively. In this tutorial and survey paper, we explain SNE, symmetric SNE, t-SNE (or Cauchy-SNE), and t-SNE with general degrees of freedom. We also cover the out-of-sample extension and acceleration for these methods.

We consider imitation learning problems where the expert has access to a per-episode context that is hidden from the learner, both in the demonstrations and at test-time. While the learner might not be able to accurately reproduce expert behavior early on in an episode, by considering the entire history of states and actions, they might be able to eventually identify the context and act as the expert would. We prove that on-policy imitation learning algorithms (with or without access to a queryable expert) are better equipped to handle these sorts of asymptotically realizable problems than off-policy methods and are able to avoid the latching behavior (naive repetition of past actions) that plagues the latter. We conduct experiments in a toy bandit domain that show that there exist sharp phase transitions of whether off-policy approaches are able to match expert performance asymptotically, in contrast to the uniformly good performance of on-policy approaches. We demonstrate that on several continuous control tasks, on-policy approaches are able to use history to identify the context while off-policy approaches actually perform worse when given access to history.

Class-conditional generative models are crucial tools for data generation from user-specified class labels. Existing approaches for class-conditional generative models require nontrivial modifications of backbone generative architectures to model conditional information fed into the model. This paper introduces a plug-and-play module named `multimodal controller' to generate multimodal data without introducing additional learning parameters. In the absence of the controllers, our model reduces to non-conditional generative models. We test the efficacy of multimodal controllers on CIFAR10, COIL100, and Omniglot benchmark datasets. We demonstrate that multimodal controlled generative models (including VAE, PixelCNN, Glow, and GAN) can generate class-conditional images of significantly better quality when compared with conditional generative models. Moreover, we show that multimodal controlled models can also create novel modalities of images.

Predicting drug-target interaction is key for drug discovery. Recent deep learning-based methods show promising performance but two challenges remain: (i) how to explicitly model and learn local interactions between drugs and targets for better prediction and interpretation; (ii) how to generalize prediction performance on novel drug-target pairs from different distribution. In this work, we propose DrugBAN, a deep bilinear attention network (BAN) framework with domain adaptation to explicitly learn pair-wise local interactions between drugs and targets, and adapt on out-of-distribution data. DrugBAN works on drug molecular graphs and target protein sequences to perform prediction, with conditional domain adversarial learning to align learned interaction representations across different distributions for better generalization on novel drug-target pairs. Experiments on three benchmark datasets under both in-domain and cross-domain settings show that DrugBAN achieves the best overall performance against five state-of-the-art baselines. Moreover, visualizing the learned bilinear attention map provides interpretable insights from prediction results.

Non-Intrusive Load Monitoring (NILM) seeks to save energy by estimating individual appliance power usage from a single aggregate measurement. Deep neural networks have become increasingly popular in attempting to solve NILM problems. However most used models are used for Load Identification rather than online Source Separation. Among source separation models, most use a single-task learning approach in which a neural network is trained exclusively for each appliance. This strategy is computationally expensive and ignores the fact that multiple appliances can be active simultaneously and dependencies between them. The rest of models are not causal, which is important for real-time application. Inspired by Convtas-Net, a model for speech separation, we propose Conv-NILM-net, a fully convolutional framework for end-to-end NILM. Conv-NILM-net is a causal model for multi appliance source separation. Our model is tested on two real datasets REDD and UK-DALE and clearly outperforms the state of the art while keeping a significantly smaller size than the competing models.

This paper studies the problem of time series forecasting (TSF) from the perspective of compressed sensing. First of all, we convert TSF into a more inclusive problem called tensor completion with arbitrary sampling (TCAS), which is to restore a tensor from a subset of its entries sampled in an arbitrary manner. While it is known that, in the framework of Tucker low-rankness, it is theoretically impossible to identify the target tensor based on some arbitrarily selected entries, in this work we shall show that TCAS is indeed tackleable in the light of a new concept called convolutional low-rankness, which is a generalization of the well-known Fourier sparsity. Then we introduce a convex program termed Convolution Nuclear Norm Minimization (CNNM), and we prove that CNNM succeeds in solving TCAS as long as a sampling condition--which depends on the convolution rank of the target tensor--is obeyed. This theory provides a meaningful answer to the fundamental question of what is the minimum sampling size needed for making a given number of forecasts. Experiments on univariate time series, images and videos show encouraging results.

We motivate our research with a real-world problem of classifying malicious web domains using a remote service that provides various information. Crucially, some of the information can be further analyzed into a certain depth and this process sequentially creates a tree of hierarchically structured multiple-instance data. Each request sent to the remote service is associated with a cost (e.g., time or another cost per request) and the objective is to maximize the accuracy, constrained with a budget. We present a generic framework able to work with a class of similar problems. Our method is based on Classification with Costly Features (CwCF), Hierarchical Multiple-Instance Learning (HMIL) and hierarchical decomposition of the action space. It works with samples described as partially-observed trees of features of various types (similar to a JSON/XML file), which allows to model data with complex structure. The process is modeled as a Markov Decision Process (MDP), where a state represents acquired features, and actions select yet unknown ones. The policy is trained with deep reinforcement learning and we demonstrate our method with both real-world and synthetic data.

In this paper, we propose SGEM, Stochastic Gradient with Energy and Momentum, to solve a large class of general non-convex stochastic optimization problems, based on the AEGD method that originated in the work [AEGD: Adaptive Gradient Descent with Energy. arXiv: 2010.05109]. SGEM incorporates both energy and momentum at the same time so as to inherit their dual advantages. We show that SGEM features an unconditional energy stability property, and derive energy-dependent convergence rates in the general nonconvex stochastic setting, as well as a regret bound in the online convex setting. A lower threshold for the energy variable is also provided. Our experimental results show that SGEM converges faster than AEGD and generalizes better or at least as well as SGDM in training some deep neural networks.

Distilling supervision signal from a long sequence to make predictions is a challenging task in machine learning, especially when not all elements in the input sequence contribute equally to the desired output. In this paper, we propose SpanDrop, a simple and effective data augmentation technique that helps models identify the true supervision signal in a long sequence with very few examples. By directly manipulating the input sequence, SpanDrop randomly ablates parts of the sequence at a time and ask the model to perform the same task to emulate counterfactual learning and achieve input attribution. Based on theoretical analysis of its properties, we also propose a variant of SpanDrop based on the beta-Bernoulli distribution, which yields diverse augmented sequences while providing a learning objective that is more consistent with the original dataset. We demonstrate the effectiveness of SpanDrop on a set of carefully designed toy tasks, as well as various natural language processing tasks that require reasoning over long sequences to arrive at the correct answer, and show that it helps models improve performance both when data is scarce and abundant.

We provide a thorough treatment of one-class classification with hyperparameter optimisation for five data descriptors: Support Vector Machine (SVM), Nearest Neighbour Distance (NND), Localised Nearest Neighbour Distance (LNND), Local Outlier Factor (LOF) and Average Localised Proximity (ALP). The hyperparameters of SVM and LOF have to be optimised through cross-validation, while NND, LNND and ALP allow an efficient form of leave-one-out validation and the reuse of a single nearest-neighbour query. We experimentally evaluate the effect of hyperparameter optimisation with 246 classification problems drawn from 50 datasets. From a selection of optimisation algorithms, the recent Malherbe-Powell proposal optimises the hyperparameters of all data descriptors most efficiently. We calculate the increase in test AUROC and the amount of overfitting as a function of the number of hyperparameter evaluations. After 50 evaluations, ALP and SVM significantly outperform LOF, NND and LNND, and LOF and NND outperform LNND. The performance of ALP and SVM is comparable, but ALP can be optimised more efficiently so constitutes a good default choice. Alternatively, using validation AUROC as a selection criterion between ALP or SVM gives the best overall result, and NND is the least computationally demanding option. We thus end up with a clear trade-off between three choices, allowing practitioners to make an informed decision.

Understanding the intensity characteristics of brain lesions is key for defining image-based biomarkers in neurological studies and for predicting disease burden and outcome. In this work, we present a novel foreground-based generative method for modelling the local lesion characteristics that can both generate synthetic lesions on healthy images and synthesize subject-specific pseudo-healthy images from pathological images. Furthermore, the proposed method can be used as a data augmentation module to generate synthetic images for training brain image segmentation networks. Experiments on multiple sclerosis (MS) brain images acquired on magnetic resonance imaging (MRI) demonstrate that the proposed method can generate highly realistic pseudo-healthy and pseudo-pathological brain images. Data augmentation using the synthetic images improves the brain image segmentation performance compared to traditional data augmentation methods as well as a recent lesion-aware data augmentation technique, CarveMix. The code will be released at https://github.com/dogabasaran/lesion-synthesis.

Network classification aims to group networks (or graphs) into distinct categories based on their structure. We study the connection between classification of a network and of its constituent nodes, and whether nodes from networks in different groups are distinguishable based on structural node characteristics such as centrality and clustering coefficient. We demonstrate, using various network datasets and random network models, that a classifier can be trained to accurately predict the network category of a given node (without seeing the whole network), implying that complex networks display distinct structural patterns even at the node level. Finally, we discuss two applications of node-level network classification: (i) whole-network classification from small samples of nodes, and (ii) network bootstrapping.

In recent years, considerable advancements have been made in the area of Generative Adversarial Networks (GANs), particularly with the advent of style-based architectures that address many key shortcomings - both in terms of modeling capabilities and network interpretability. Despite these improvements, the adoption of such approaches in the domain of satellite imagery is not straightforward. Typical vision datasets used in generative tasks are well-aligned and annotated, and exhibit limited variability. In contrast, satellite imagery exhibits great spatial and spectral variability, wide presence of fine, high-frequency details, while the tedious nature of annotating satellite imagery leads to annotation scarcity - further motivating developments in unsupervised learning. In this light, we present the first pre-trained style- and wavelet-based GAN model that can readily synthesize a wide gamut of realistic satellite images in a variety of settings and conditions - while also preserving high-frequency information. Furthermore, we show that by analyzing the intermediate activations of our network, one can discover a multitude of interpretable semantic directions that facilitate the guided synthesis of satellite images in terms of high-level concepts (e.g., urbanization) without using any form of supervision. Via a set of qualitative and quantitative experiments we demonstrate the efficacy of our framework, in terms of suitability for downstream tasks (e.g., data augmentation), quality of synthetic imagery, as well as generalization capabilities to unseen datasets.

Often, the data used to train ranking models is subject to label noise. For example, in web-search, labels created from clickstream data are noisy due to issues such as insufficient information in item descriptions on the SERP, query reformulation by the user, and erratic or unexpected user behavior. In practice, it is difficult to handle label noise without making strong assumptions about the label generation process. As a result, practitioners typically train their learning-to-rank (LtR) models directly on this noisy data without additional consideration of the label noise. Surprisingly, we often see strong performance from LtR models trained in this way. In this work, we describe a class of noise-tolerant LtR losses for which empirical risk minimization is a consistent procedure, even in the context of class-conditional label noise. We also develop noise-tolerant analogs of commonly used loss functions. The practical implications of our theoretical findings are further supported by experimental results.

As the complexity of quantum systems such as quantum bit arrays increases, efforts to automate expensive tuning are increasingly worthwhile. We investigate machine learning based tuning of gate arrays using the CMA-ES algorithm for the case study of Majorana wires with strong disorder. We find that the algorithm is able to efficiently improve the topological signatures, learn intrinsic disorder profiles, and completely eliminate disorder effects. For example, with only 20 gates, it is possible to fully recover Majorana zero modes destroyed by disorder by optimizing gate voltages.

Machine learning (ML) continues to permeate all layers of academia, industry and society. Despite its successes, mental frameworks to capture and represent machine learning workflows in a consistent and coherent manner are lacking. For instance, the de facto process modeling standard, Business Process Model and Notation (BPMN), managed by the Object Management Group, is widely accepted and applied. However, it is short of specific support to represent machine learning workflows. Further, the number of heterogeneous tools for deployment of machine learning solutions can easily overwhelm practitioners. Research is needed to align the process from modeling to deploying ML workflows. We analyze requirements for standard based conceptual modeling for machine learning workflows and their serverless deployment. Confronting the shortcomings with respect to consistent and coherent modeling of ML workflows in a technology independent and interoperable manner, we extend BPMN's Meta-Object Facility (MOF) metamodel and the corresponding notation and introduce BPMN4sML (BPMN for serverless machine learning). Our extension BPMN4sML follows the same outline referenced by the Object Management Group (OMG) for BPMN. We further address the heterogeneity in deployment by proposing a conceptual mapping to convert BPMN4sML models to corresponding deployment models using TOSCA. BPMN4sML allows technology-independent and interoperable modeling of machine learning workflows of various granularity and complexity across the entire machine learning lifecycle. It aids in arriving at a shared and standardized language to communicate ML solutions. Moreover, it takes the first steps toward enabling conversion of ML workflow model diagrams to corresponding deployment models for serverless deployment via TOSCA.

Overfitting is defined as the fact that the current model fits a specific data set perfectly, resulting in weakened generalization, and ultimately may affect the accuracy in predicting future data. In this research we used an EHR dataset concerning breast cancer metastasis to study overfitting of deep feedforward Neural Networks (FNNs) prediction models. We included 11 hyperparameters of the deep FNNs models and took an empirical approach to study how each of these hyperparameters was affecting both the prediction performance and overfitting when given a large range of values. We also studied how some of the interesting pairs of hyperparameters were interacting to influence the model performance and overfitting. The 11 hyperparameters we studied include activate function; weight initializer, number of hidden layers, learning rate, momentum, decay, dropout rate, batch size, epochs, L1, and L2. Our results show that most of the single hyperparameters are either negatively or positively corrected with model prediction performance and overfitting. In particular, we found that overfitting overall tends to negatively correlate with learning rate, decay, batch sides, and L2, but tends to positively correlate with momentum, epochs, and L1. According to our results, learning rate, decay, and batch size may have a more significant impact on both overfitting and prediction performance than most of the other hyperparameters, including L1, L2, and dropout rate, which were designed for minimizing overfitting. We also find some interesting interacting pairs of hyperparameters such as learning rate and momentum, learning rate and decay, and batch size and epochs. Keywords: Deep learning, overfitting, prediction, grid search, feedforward neural networks, breast cancer metastasis.

Training deep neural networks consumes increasing computational resource shares in many compute centers. Often, a brute force approach to obtain hyperparameter values is employed. Our goal is (1) to enhance this by enabling second-order optimization methods with fewer hyperparameters for large-scale neural networks and (2) to perform a survey of the performance optimizers for specific tasks to suggest users the best one for their problem. We introduce a novel second-order optimization method that requires the effect of the Hessian on a vector only and avoids the huge cost of explicitly setting up the Hessian for large-scale networks. We compare the proposed second-order method with two state-of-the-art optimizers on five representative neural network problems, including regression and very deep networks from computer vision or variational autoencoders. For the largest setup, we efficiently parallelized the optimizers with Horovod and applied it to a 8 GPU NVIDIA P100 (DGX-1) machine.

Multivariate time series anomaly detection has been extensively studied under the semi-supervised setting, where a training dataset with all normal instances is required. However, preparing such a dataset is very laborious since each single data instance should be fully guaranteed to be normal. It is, therefore, desired to explore multivariate time series anomaly detection methods based on the dataset without any label knowledge. In this paper, we propose MTGFlow, an unsupervised anomaly detection approach for Multivariate Time series anomaly detection via dynamic Graph and entity-aware normalizing Flow, leaning only on a widely accepted hypothesis that abnormal instances exhibit sparse densities than the normal. However, the complex interdependencies among entities and the diverse inherent characteristics of each entity pose significant challenges on the density estimation, let alone to detect anomalies based on the estimated possibility distribution. To tackle these problems, we propose to learn the mutual and dynamic relations among entities via a graph structure learning model, which helps to model accurate distribution of multivariate time series. Moreover, taking account of distinct characteristics of the individual entities, an entity-aware normalizing flow is developed to describe each entity into a parameterized normal distribution, thereby producing fine-grained density estimation. Incorporating these two strategies, MTGFlowachieves superior anomaly detection performance. Experiments on the real-world datasets are conducted, demonstrating that MTGFlow outperforms the state-of-the-art (SOTA) by 5.0% and 1.6% AUROC for SWaT and WADI datasets respectively. Also, through the anomaly scores contributed by individual entities, MTGFlow can provide explanation information for the detection results.

Humans have an extraordinary ability to communicate and read the properties of objects by simply watching them being carried by someone else. This level of communicative skills and interpretation, available to humans, is essential for collaborative robots if they are to interact naturally and effectively. For example, suppose a robot is handing over a fragile object. In that case, the human who receives it should be informed of its fragility in advance, through an immediate and implicit message, i.e., by the direct modulation of the robot's action. This work investigates the perception of object manipulations performed with a communicative intent by two robots with different embodiments (an iCub humanoid robot and a Baxter robot). We designed the robots' movements to communicate carefulness or not during the transportation of objects. We found that not only this feature is correctly perceived by human observers, but it can elicit as well a form of motor adaptation in subsequent human object manipulations. In addition, we get an insight into which motion features may induce to manipulate an object more or less carefully.

In this work, we present the first corpus for German Adverse Drug Reaction (ADR) detection in patient-generated content. The data consists of 4,169 binary annotated documents from a German patient forum, where users talk about health issues and get advice from medical doctors. As is common in social media data in this domain, the class labels of the corpus are very imbalanced. This and a high topic imbalance make it a very challenging dataset, since often, the same symptom can have several causes and is not always related to a medication intake. We aim to encourage further multi-lingual efforts in the domain of ADR detection and provide preliminary experiments for binary classification using different methods of zero- and few-shot learning based on a multi-lingual model. When fine-tuning XLM-RoBERTa first on English patient forum data and then on the new German data, we achieve an F1-score of 37.52 for the positive class. We make the dataset and models publicly available for the community.

Software-Defined Networking (SDN) is the next generation to change the architecture of traditional networks. SDN is one of the promising solutions to change the architecture of internet networks. Attacks become more common due to the centralized nature of SDN architecture. It is vital to provide security for the SDN. In this study, we propose a Network Intrusion Detection System-Deep Learning module (NIDS-DL) approach in the context of SDN. Our suggested method combines Network Intrusion Detection Systems (NIDS) with many types of deep learning algorithms. Our approach employs 12 features extracted from 41 features in the NSL-KDD dataset using a feature selection method. We employed classifiers (CNN, DNN, RNN, LSTM, and GRU). When we compare classifier scores, our technique produced accuracy results of (98.63%, 98.53%, 98.13%, 98.04%, and 97.78%) respectively. The novelty of our new approach (NIDS-DL) uses 5 deep learning classifiers and made pre-processing dataset to harvests the best results. Our proposed approach was successful in binary classification and detecting attacks, implying that our approach (NIDS-DL) might be used with great efficiency in the future.

Deep neural networks currently deliver promising results for microscopy image cell segmentation, but they require large-scale labelled databases, which is a costly and time-consuming process. In this work, we relax the labelling requirement by combining self-supervised with semi-supervised learning. We propose the prediction of edge-based maps for self-supervising the training of the unlabelled images, which is combined with the supervised training of a small number of labelled images for learning the segmentation task. In our experiments, we evaluate on a few-shot microscopy image cell segmentation benchmark and show that only a small number of annotated images, e.g. 10% of the original training set, is enough for our approach to reach similar performance as with the fully annotated databases on 1- to 10-shots. Our code and trained models is made publicly available

Dynamical systems theory has recently been applied in optimization to prove that gradient descent algorithms avoid so-called strict saddle points of the loss function. However, in many modern machine learning applications, the required regularity conditions are not satisfied. In particular, this is the case for rectified linear unit (ReLU) networks. In this paper, we prove a variant of the relevant dynamical systems result, a center-stable manifold theorem, in which we relax some of the regularity requirements. Then, we verify that shallow ReLU networks fit into the new framework. Building on a classification of critical points of the square integral loss of shallow ReLU networks measured against an affine target function, we deduce that gradient descent avoids most saddle points. We proceed to prove convergence to global minima if the initialization is sufficiently good, which is expressed by an explicit threshold on the limiting loss.

The prevalent approach in self-supervised image generation is to operate on pixel level representations. While this approach can produce high quality images, it cannot benefit from the simplicity and innate quality of vectorization. Here we present a drawing agent that operates on stroke-level representation of images. At each time step, the agent first assesses the current canvas and decides whether to stop or keep drawing. When a 'draw' decision is made, the agent outputs a program indicating the stroke to be drawn. As a result, it produces a final raster image by drawing the strokes on a canvas, using a minimal number of strokes and dynamically deciding when to stop. We train our agent through reinforcement learning on MNIST and Omniglot datasets for unconditional generation and parsing (reconstruction) tasks. We utilize our parsing agent for exemplar generation and type conditioned concept generation in Omniglot challenge without any further training. We present successful results on all three generation tasks and the parsing task. Crucially, we do not need any stroke-level or vector supervision; we only use raster images for training.

In this work, we present a scalable and efficient system for exploring the supply landscape in real-time bidding. The system directs exploration based on the predictive uncertainty of models used for click-through rate prediction and works in a high-throughput, low-latency environment. Through online A/B testing, we demonstrate that exploration with model uncertainty has a positive impact on model performance and business KPIs.

We aim to teach robots to perform simple object manipulation tasks by watching a single video demonstration. Towards this goal, we propose an optimization approach that outputs a coarse and temporally evolving 3D scene to mimic the action demonstrated in the input video. Similar to previous work, a differentiable renderer ensures perceptual fidelity between the 3D scene and the 2D video. Our key novelty lies in the inclusion of a differentiable approach to solve a set of Ordinary Differential Equations (ODEs) that allows us to approximately model laws of physics such as gravity, friction, and hand-object or object-object interactions. This not only enables us to dramatically improve the quality of estimated hand and object states, but also produces physically admissible trajectories that can be directly translated to a robot without the need for costly reinforcement learning. We evaluate our approach on a 3D reconstruction task that consists of 54 video demonstrations sourced from 9 actions such as pull something from right to left or put something in front of something. Our approach improves over previous state-of-the-art by almost 30%, demonstrating superior quality on especially challenging actions involving physical interactions of two objects such as put something onto something. Finally, we showcase the learned skills on a Franka Emika Panda robot.

Catastrophic forgetting (CF) occurs when a neural network loses the information previously learned while training on a set of samples from a different distribution, i.e., a new task. Existing approaches have achieved remarkable results in mitigating CF, especially in a scenario called task incremental learning. However, this scenario is not realistic, and limited work has been done to achieve good results on more realistic scenarios. In this paper, we propose a novel regularization method called Centroids Matching, that, inspired by meta-learning approaches, fights CF by operating in the feature space produced by the neural network, achieving good results while requiring a small memory footprint. Specifically, the approach classifies the samples directly using the feature vectors produced by the neural network, by matching those vectors with the centroids representing the classes from the current task, or all the tasks up to that point. Centroids Matching is faster than competing baselines, and it can be exploited to efficiently mitigate CF, by preserving the distances between the embedding space produced by the model when past tasks were over, and the one currently produced, leading to a method that achieves high accuracy on all the tasks, without using an external memory when operating on easy scenarios, or using a small one for more realistic ones. Extensive experiments demonstrate that Centroids Matching achieves accuracy gains on multiple datasets and scenarios.

To create a large amount of training labels for machine learning models effectively and efficiently, researchers have turned to Weak Supervision (WS), which uses programmatic labeling sources rather than manual annotation. Existing works of WS for binary classification typically assume the presence of labeling sources that are able to assign both positive and negative labels to data in roughly balanced proportions. However, for many tasks of interest where there is a minority positive class, negative examples could be too diverse for developers to generate indicative labeling sources. Thus, in this work, we study the application of WS on binary classification tasks with positive labeling sources only. We propose WEAPO, a simple yet competitive WS method for producing training labels without negative labeling sources. On 10 benchmark datasets, we show WEAPO achieves the highest averaged performance in terms of both the quality of synthesized labels and the performance of the final classifier supervised with these labels. We incorporated the implementation of \method into WRENCH, an existing benchmarking platform.

We propose a robust principal component analysis (RPCA) framework to recover low-rank and sparse matrices from temporal observations. We develop an online version of the batch temporal algorithm in order to process larger datasets or streaming data. We empirically compare the proposed approaches with different RPCA frameworks and show their effectiveness in practical situations.

Normalizing flows are tractable density models that can approximate complicated target distributions, e.g. Boltzmann distributions of physical systems. However, current methods for training flows either suffer from mode-seeking behavior, use samples from the target generated beforehand by expensive MCMC simulations, or use stochastic losses that have very high variance. To avoid these problems, we augment flows with annealed importance sampling (AIS) and minimize the mass covering $\alpha$-divergence with $\alpha=2$, which minimizes importance weight variance. Our method, Flow AIS Bootstrap (FAB), uses AIS to generate samples in regions where the flow is a poor approximation of the target, facilitating the discovery of new modes. We target with AIS the minimum variance distribution for the estimation of the $\alpha$-divergence via importance sampling. We also use a prioritized buffer to store and reuse AIS samples. These two features significantly improve FAB's performance. We apply FAB to complex multimodal targets and show that we can approximate them very accurately where previous methods fail. To the best of our knowledge, we are the first to learn the Boltzmann distribution of the alanine dipeptide molecule using only the unnormalized target density and without access to samples generated via Molecular Dynamics (MD) simulations: FAB produces better results than training via maximum likelihood on MD samples while using 100 times fewer target evaluations. After reweighting samples with importance weights, we obtain unbiased histograms of dihedral angles that are almost identical to the ground truth ones.

Boosting the runtime performance of deep neural networks (DNNs) is critical due to their wide adoption in real-world tasks. Existing approaches to optimizing the tensor algebra expression of a DNN only consider expressions representable by a fixed set of predefined operators, missing possible optimization opportunities between general expressions. We propose OLLIE, the first derivation-based tensor program optimizer. OLLIE optimizes tensor programs by leveraging transformations between general tensor algebra expressions, enabling a significantly larger expression search space that includes those supported by prior work as special cases. OLLIE uses a hybrid derivation-based optimizer that effectively combines explorative and guided derivations to quickly discover highly optimized expressions. Evaluation on seven DNNs shows that OLLIE can outperform existing optimizers by up to 2.73$\times$ (1.46$\times$ on average) on an A100 GPU and up to 2.68$\times$ (1.51$\times$) on a V100 GPU, respectively.

Recently, graph neural networks have shown the superiority of modeling the complex topological structures in heterogeneous network-based recommender systems. Due to the diverse interactions among nodes and abundant semantics emerging from diverse types of nodes and edges, there is a bursting research interest in learning expressive node representations in multiplex heterogeneous networks. One of the most important tasks in recommender systems is to predict the potential connection between two nodes under a specific edge type (i.e., relationship). Although existing studies utilize explicit metapaths to aggregate neighbors, practically they only consider intra-relationship metapaths and thus fail to leverage the potential uplift by inter-relationship information. Moreover, it is not always straightforward to exploit inter-relationship metapaths comprehensively under diverse relationships, especially with the increasing number of node and edge types. In addition, contributions of different relationships between two nodes are difficult to measure. To address the challenges, we propose HybridGNN, an end-to-end GNN model with hybrid aggregation flows and hierarchical attentions to fully utilize the heterogeneity in the multiplex scenarios. Specifically, HybridGNN applies a randomized inter-relationship exploration module to exploit the multiplexity property among different relationships. Then, our model leverages hybrid aggregation flows under intra-relationship metapaths and randomized exploration to learn the rich semantics. To explore the importance of different aggregation flow and take advantage of the multiplexity property, we bring forward a novel hierarchical attention module which leverages both metapath-level attention and relationship-level attention. Extensive experimental results suggest that HybridGNN achieves the best performance compared to several state-of-the-art baselines.

We propose an approach to solving partial differential equations (PDEs) using a set of neural networks which we call Neural Basis Functions (NBF). This NBF framework is a novel variation of the POD DeepONet operator learning approach where we regress a set of neural networks onto a reduced order Proper Orthogonal Decomposition (POD) basis. These networks are then used in combination with a branch network that ingests the parameters of the prescribed PDE to compute a reduced order approximation to the PDE. This approach is applied to the steady state Euler equations for high speed flow conditions (mach 10-30) where we consider the 2D flow around a cylinder which develops a shock condition. We then use the NBF predictions as initial conditions to a high fidelity Computational Fluid Dynamics (CFD) solver (CFD++) to show faster convergence. Lessons learned for training and implementing this algorithm will be presented as well.

Convolutional neural networks (CNN) have enabled major advances in image classification through convolution and pooling. In particular, image pooling transforms a connected discrete grid into a reduced grid with the same connectivity and allows reduction functions to take into account all the pixels of an image. However, a pooling satisfying such properties does not exist for graphs. Indeed, some methods are based on a vertex selection step which induces an important loss of information. Other methods learn a fuzzy clustering of vertex sets which induces almost complete reduced graphs. We propose to overcome both problems using a new pooling method, named MIVSPool. This method is based on a selection of vertices called surviving vertices using a Maximal Independent Vertex Set (MIVS) and an assignment of the remaining vertices to the survivors. Consequently, our method does not discard any vertex information nor artificially increase the density of the graph. Experimental results show an increase in accuracy for graph classification on various standard datasets.

Human safety has always been the main priority when working near an industrial robot. With the rise of Human-Robot Collaborative environments, physical barriers to avoiding collisions have been disappearing, increasing the risk of accidents and the need for solutions that ensure a safe Human-Robot Collaboration. This paper proposes a safety system that implements Speed and Separation Monitoring (SSM) type of operation. For this, safety zones are defined in the robot's workspace following current standards for industrial collaborative robots. A deep learning-based computer vision system detects, tracks, and estimates the 3D position of operators close to the robot. The robot control system receives the operator's 3D position and generates 3D representations of them in a simulation environment. Depending on the zone where the closest operator was detected, the robot stops or changes its operating speed. Three different operation modes in which the human and robot interact are presented. Results show that the vision-based system can correctly detect and classify in which safety zone an operator is located and that the different proposed operation modes ensure that the robot's reaction and stop time are within the required time limits to guarantee safety.

We address the consistency of a kernel ridge regression estimate of the conditional mean embedding (CME), which is an embedding of the conditional distribution of $Y$ given $X$ into a target reproducing kernel Hilbert space $\mathcal{H}_Y$. The CME allows us to take conditional expectations of target RKHS functions, and has been employed in nonparametric causal and Bayesian inference. We address the misspecified setting, where the target CME is in the space of Hilbert-Schmidt operators acting from an input interpolation space between $\mathcal{H}_X$ and $L_2$, to $\mathcal{H}_Y$. This space of operators is shown to be isomorphic to a newly defined vector-valued interpolation space. Using this isomorphism, we derive a novel and adaptive statistical learning rate for the empirical CME estimator under the misspecified setting. Our analysis reveals that our rates match the optimal $O(\log n / n)$ rates without assuming $\mathcal{H}_Y$ to be finite dimensional. We further establish a lower bound on the learning rate, which shows that the obtained upper bound is optimal.

For responsible decision making in safety-critical settings, machine learning models must effectively detect and process edge-case data. Although existing works show that predictive uncertainty is useful for these tasks, it is not evident from literature which uncertainty-aware models are best suited for a given dataset. Thus, we compare six uncertainty-aware deep learning models on a set of edge-case tasks: robustness to adversarial attacks as well as out-of-distribution and adversarial detection. We find that the geometry of the data sub-manifold is an important factor in determining the success of various models. Our finding suggests an interesting direction in the study of uncertainty-aware deep learning models.

Rapid discovery of new reactions and molecules in recent years has been facilitated by the advancements in high throughput screening, accessibility to a much more complex chemical design space, and the development of accurate molecular modeling frameworks. A holistic study of the growing chemistry literature is, therefore, required that focuses on understanding the recent trends and extrapolating them into possible future trajectories. To this end, several network theory-based studies have been reported that use a directed graph representation of chemical reactions. Here, we perform a study based on representing chemical reactions as hypergraphs where the hyperedges represent chemical reactions and nodes represent the participating molecules. We use a standard reactions dataset to construct a hypernetwork and report its statistics such as degree distributions, average path length, assortativity or degree correlations, PageRank centrality, and graph-based clusters (or communities). We also compute each statistic for an equivalent directed graph representation of reactions to draw parallels and highlight differences between the two. To demonstrate the AI applicability of hypergraph reaction representation, we generate dense hypergraph embeddings and use them in the reaction classification problem. We conclude that the hypernetwork representation is flexible, preserves reaction context, and uncovers hidden insights that are otherwise not apparent in a traditional directed graph representation of chemical reactions.

Most (3D) multi-object tracking methods rely on appearance-based cues for data association. By contrast, we investigate how far we can get by only encoding geometric relationships between objects in 3D space as cues for data-driven data association. We encode 3D detections as nodes in a graph, where spatial and temporal pairwise relations among objects are encoded via localized polar coordinates on graph edges. This representation makes our geometric relations invariant to global transformations and smooth trajectory changes, especially under non-holonomic motion. This allows our graph neural network to learn to effectively encode temporal and spatial interactions and fully leverage contextual and motion cues to obtain final scene interpretation by posing data association as edge classification. We establish a new state-of-the-art on nuScenes dataset and, more importantly, show that our method, PolarMOT, generalizes remarkably well across different locations (Boston, Singapore, Karlsruhe) and datasets (nuScenes and KITTI).

Machine learning systems may encounter unexpected problems when the data distribution changes in the deployment environment. A major reason is that certain combinations of domains and labels are not observed during training but appear in the test environment. Although various invariance-based algorithms can be applied, we find that the performance gain is often marginal. To formally analyze this issue, we provide a unique algebraic formulation of the combination shift problem based on the concepts of homomorphism, equivariance, and a refined definition of disentanglement. The algebraic requirements naturally derive a simple yet effective method, referred to as equivariant disentangled transformation (EDT), which augments the data based on the algebraic structures of labels and makes the transformation satisfy the equivariance and disentanglement requirements. Experimental results demonstrate that invariance may be insufficient, and it is important to exploit the equivariance structure in the combination shift problem.

Temporal point process (TPP) is commonly used to model the asynchronous event sequence featuring occurrence timestamps and revealed by probabilistic models conditioned on historical impacts. While lots of previous works have focused on `goodness-of-fit' of TPP models by maximizing the likelihood, their predictive performance is unsatisfactory, which means the timestamps generated by models are far apart from true observations. Recently, deep generative models such as denoising diffusion and score matching models have achieved great progress in image generating tasks by demonstrating their capability of generating samples of high quality. However, there are no complete and unified works exploring and studying the potential of generative models in the context of event occurence modeling for TPP. In this work, we try to fill the gap by designing a unified \textbf{g}enerative framework for \textbf{n}eural \textbf{t}emporal \textbf{p}oint \textbf{p}rocess (\textsc{GNTPP}) model to explore their feasibility and effectiveness, and further improve models' predictive performance. Besides, in terms of measuring the historical impacts, we revise the attentive models which summarize influence from historical events with an adaptive reweighting term considering events' type relation and time intervals. Extensive experiments have been conducted to illustrate the improved predictive capability of \textsc{GNTPP} with a line of generative probabilistic decoders, and performance gain from the revised attention. To the best of our knowledge, this is the first work that adapts generative models in a complete unified framework and studies their effectiveness in the context of TPP. Our codebase including all the methods given in Section.5.1.1 is open in \url{https://github.com/BIRD-TAO/GNTPP}. We hope the code framework can facilitate future research in Neural TPPs.

We propose a novel method for training a neural network for image classification to reduce input data dynamically, in order to reduce the costs of training a neural network model. As Deep Learning tasks become more popular, their computational complexity increases, leading to more intricate algorithms and models which have longer runtimes and require more input data. The result is a greater cost on time, hardware, and environmental resources. By using data reduction techniques, we reduce the amount of work performed, and therefore the environmental impact of AI techniques, and with dynamic data reduction we show that accuracy may be maintained while reducing runtime by up to 50%, and reducing carbon emission proportionally.

Node injection attacks against Graph Neural Networks (GNNs) have received emerging attention as a practical attack scenario, where the attacker injects malicious nodes instead of modifying node features or edges to degrade the performance of GNNs. Despite the initial success of node injection attacks, we find that the injected nodes by existing methods are easy to be distinguished from the original normal nodes by defense methods and limiting their attack performance in practice. To solve the above issues, we devote to camouflage node injection attack, i.e., camouflaging injected malicious nodes (structure/attributes) as the normal ones that appear legitimate/imperceptible to defense methods. The non-Euclidean nature of graph data and the lack of human prior brings great challenges to the formalization, implementation, and evaluation of camouflage on graphs. In this paper, we first propose and formulate the camouflage of injected nodes from both the fidelity and diversity of the ego networks centered around injected nodes. Then, we design an adversarial CAmouflage framework for Node injection Attack, namely CANA, to improve the camouflage while ensuring the attack performance. Several novel indicators for graph camouflage are further designed for a comprehensive evaluation. Experimental results demonstrate that when equipping existing node injection attack methods with our proposed CANA framework, the attack performance against defense methods as well as node camouflage is significantly improved.

IPIs caused by protozoan and helminth parasites are among the most common infections in humans in LMICs. They are regarded as a severe public health concern, as they cause a wide array of potentially detrimental health conditions. Researchers have been developing pattern recognition techniques for the automatic identification of parasite eggs in microscopic images. Existing solutions still need improvements to reduce diagnostic errors and generate fast, efficient, and accurate results. Our paper addresses this and proposes a multi-modal learning detector to localize parasitic eggs and categorize them into 11 categories. The experiments were conducted on the novel Chula-ParasiteEgg-11 dataset that was used to train both EfficientDet model with EfficientNet-v2 backbone and EfficientNet-B7+SVM. The dataset has 11,000 microscopic training images from 11 categories. Our results show robust performance with an accuracy of 92%, and an F1 score of 93%. Additionally, the IOU distribution illustrates the high localization capability of the detector.

Accurate control of robots at high speeds requires a control system that can take into account the kinodynamic interactions of the robot with the environment. Prior works on learning inverse kinodynamic (IKD) models of robots have shown success in capturing the complex kinodynamic effects. However, the types of control problems these approaches can be applied to are limited only to that of following pre-computed kinodynamically feasible trajectories. In this paper we present Optim-FKD, a new formulation for accurate, high-speed robot control that makes use of a learned forward kinodynamic (FKD) model and non-linear least squares optimization. Optim-FKD can be used for accurate, high speed control on any control task specifiable by a non-linear least squares objective. Optim-FKD can solve for control objectives such as path following and time-optimal control in real time, without needing access to pre-computed kinodynamically feasible trajectories. We empirically demonstrate these abilities of our approach through experiments on a scale one-tenth autonomous car. Our results show that Optim-FKD can follow desired trajectories more accurately and can find better solutions to optimal control problems than baseline approaches.

Graph neural network (GNN) is achieving remarkable performances in a variety of application domains. However, GNN is vulnerable to noise and adversarial attacks in input data. Making GNN robust against noises and adversarial attacks is an important problem. The existing defense methods for GNNs are computationally demanding and are not scalable. In this paper, we propose a generic framework for robustifying GNN known as Weighted Laplacian GNN (RWL-GNN). The method combines Weighted Graph Laplacian learning with the GNN implementation. The proposed method benefits from the positive semi-definiteness property of Laplacian matrix, feature smoothness, and latent features via formulating a unified optimization framework, which ensures the adversarial/noisy edges are discarded and connections in the graph are appropriately weighted. For demonstration, the experiments are conducted with Graph convolutional neural network(GCNN) architecture, however, the proposed framework is easily amenable to any existing GNN architecture. The simulation results with benchmark dataset establish the efficacy of the proposed method, both in accuracy and computational efficiency. Code can be accessed at https://github.com/Bharat-Runwal/RWL-GNN.

New powerful tools for tackling life science problems have been created by recent advances in machine learning. The purpose of the paper is to discuss the potential advantages of gene recommendation performed by artificial intelligence (AI). Indeed, gene recommendation engines try to solve this problem: if the user is interested in a set of genes, which other genes are likely to be related to the starting set and should be investigated? This task was solved with a custom deep learning recommendation engine, DeepProphet2 (DP2), which is freely available to researchers worldwide via www.generecommender.com. Hereafter, insights behind the algorithm and its practical applications are illustrated. The gene recommendation problem can be addressed by mapping the genes to a metric space where a distance can be defined to represent the real semantic distance between them. To achieve this objective a transformer-based model has been trained on a well-curated freely available paper corpus, PubMed. The paper describes multiple optimization procedures that were employed to obtain the best bias-variance trade-off, focusing on embedding size and network depth. In this context, the model's ability to discover sets of genes implicated in diseases and pathways was assessed through cross-validation. A simple assumption guided the procedure: the network had no direct knowledge of pathways and diseases but learned genes' similarities and the interactions among them. Moreover, to further investigate the space where the neural network represents genes, the dimensionality of the embedding was reduced, and the results were projected onto a human-comprehensible space. In conclusion, a set of use cases illustrates the algorithm's potential applications in a real word setting.

Federated learning, as a privacy-preserving collaborative machine learning paradigm, has been gaining more and more attention in the industry. With the huge rise in demand, there have been many federated learning platforms that allow federated participants to set up and build a federated model from scratch. However, exiting platforms are highly intrusive, complicated, and hard to integrate with built machine learning models. For many real-world businesses that already have mature serving models, existing federated learning platforms have high entry barriers and development costs. This paper presents a simple yet practical federated learning plug-in inspired by ensemble learning, dubbed WrapperFL, allowing participants to build/join a federated system with existing models at minimal costs. The WrapperFL works in a plug-and-play way by simply attaching to the input and output interfaces of an existing model, without the need of re-development, significantly reducing the overhead of manpower and resources. We verify our proposed method on diverse tasks under heterogeneous data distributions and heterogeneous models. The experimental results demonstrate that WrapperFL can be successfully applied to a wide range of applications under practical settings and improves the local model with federated learning at a low cost.

We study linear regression under covariate shift, where the marginal distribution over the input covariates differs in the source and the target domains, while the conditional distribution of the output given the input covariates is similar across the two domains. We investigate a transfer learning approach with pretraining on the source data and finetuning based on the target data (both conducted by online SGD) for this problem. We establish sharp instance-dependent excess risk upper and lower bounds for this approach. Our bounds suggest that for a large class of linear regression instances, transfer learning with $O(N^2)$ source data (and scarce or no target data) is as effective as supervised learning with $N$ target data. In addition, we show that finetuning, even with only a small amount of target data, could drastically reduce the amount of source data required by pretraining. Our theory sheds light on the effectiveness and limitation of pretraining as well as the benefits of finetuning for tackling covariate shift problems.

The number of IoT devices is predicted to reach 125 billion by 2023. The growth of IoT devices will intensify the collisions between devices, degrading communication performance. Selecting appropriate transmission parameters, such as channel and spreading factor (SF), can effectively reduce the collisions between long-range (LoRa) devices. However, most of the schemes proposed in the current literature are not easy to implement on an IoT device with limited computational complexity and memory. To solve this issue, we propose a lightweight transmission-parameter selection scheme, i.e., a joint channel and SF selection scheme using reinforcement learning for low-power wide area networking (LoRaWAN). In the proposed scheme, appropriate transmission parameters can be selected by simple four arithmetic operations using only Acknowledge (ACK) information. Additionally, we theoretically analyze the computational complexity and memory requirement of our proposed scheme, which verified that our proposed scheme could select transmission parameters with extremely low computational complexity and memory requirement. Moreover, a large number of experiments were implemented on the LoRa devices in the real world to evaluate the effectiveness of our proposed scheme. The experimental results demonstrate the following main phenomena. (1) Compared to other lightweight transmission-parameter selection schemes, collisions between LoRa devices can be efficiently avoided by our proposed scheme in LoRaWAN irrespective of changes in the available channels. (2) The frame success rate (FSR) can be improved by selecting access channels and using SFs as opposed to only selecting access channels. (3) Since interference exists between adjacent channels, FSR and fairness can be improved by increasing the interval of adjacent available channels.

While exogenous variables have a major impact on performance improvement in time series analysis, inter-series correlation and time dependence among them are rarely considered in the present continuous methods. The dynamical systems of multivariate time series could be modelled with complex unknown partial differential equations (PDEs) which play a prominent role in many disciplines of science and engineering. In this paper, we propose a continuous-time model for arbitrary-step prediction to learn an unknown PDE system in multivariate time series whose governing equations are parameterised by self-attention and gated recurrent neural networks. The proposed model, \underline{E}xogenous-\underline{g}uided \underline{P}artial \underline{D}ifferential \underline{E}quation Network (EgPDE-Net), takes account of the relationships among the exogenous variables and their effects on the target series. Importantly, the model can be reduced into a regularised ordinary differential equation (ODE) problem with special designed regularisation guidance, which makes the PDE problem tractable to obtain numerical solutions and feasible to predict multiple future values of the target series at arbitrary time points. Extensive experiments demonstrate that our proposed model could achieve competitive accuracy over strong baselines: on average, it outperforms the best baseline by reducing $9.85\%$ on RMSE and $13.98\%$ on MAE for arbitrary-step prediction.

Walking is one of the most common modes of terrestrial locomotion for humans. Walking is essential for humans to perform most kinds of daily activities. When a person walks, there is a pattern in it, and it is known as gait. Gait analysis is used in sports and healthcare. We can analyze this gait in different ways, like using video captured by the surveillance cameras or depth image cameras in the lab environment. It also can be recognized by wearable sensors. e.g., accelerometer, force sensors, gyroscope, flexible goniometer, magneto resistive sensors, electromagnetic tracking system, force sensors, and electromyography (EMG). Analysis through these sensors required a lab condition, or users must wear these sensors. For detecting abnormality in gait action of a human, we need to incorporate the sensors separately. We can know about one's health condition by abnormal human gait after detecting it. Understanding a regular gait vs. abnormal gait may give insights to the health condition of the subject using the smart wearable technologies. Therefore, in this paper, we proposed a way to analyze abnormal human gait through smartphone sensors. Though smart devices like smartphones and smartwatches are used by most of the person nowadays. So, we can track down their gait using sensors of these intelligent wearable devices.

Modeling virtual agents with behavior style is one factor for personalizing human agent interaction. We propose an efficient yet effective machine learning approach to synthesize gestures driven by prosodic features and text in the style of different speakers including those unseen during training. Our model performs zero shot multimodal style transfer driven by multimodal data from the PATS database containing videos of various speakers. We view style as being pervasive while speaking, it colors the communicative behaviors expressivity while speech content is carried by multimodal signals and text. This disentanglement scheme of content and style allows us to directly infer the style embedding even of speaker whose data are not part of the training phase, without requiring any further training or fine tuning. The first goal of our model is to generate the gestures of a source speaker based on the content of two audio and text modalities. The second goal is to condition the source speaker predicted gestures on the multimodal behavior style embedding of a target speaker. The third goal is to allow zero shot style transfer of speakers unseen during training without retraining the model. Our system consists of: (1) a speaker style encoder network that learns to generate a fixed dimensional speaker embedding style from a target speaker multimodal data and (2) a sequence to sequence synthesis network that synthesizes gestures based on the content of the input modalities of a source speaker and conditioned on the speaker style embedding. We evaluate that our model can synthesize gestures of a source speaker and transfer the knowledge of target speaker style variability to the gesture generation task in a zero shot setup. We convert the 2D gestures to 3D poses and produce 3D animations. We conduct objective and subjective evaluations to validate our approach and compare it with a baseline.

Vehicular networks enable vehicles support real-time vehicular applications through training data. Due to the limited computing capability, vehicles usually transmit data to a road side unit (RSU) at the network edge to process data. However, vehicles are usually reluctant to share data with each other due to the privacy issue. For the traditional federated learning (FL), vehicles train the data locally to obtain a local model and then upload the local model to the RSU to update the global model, thus the data privacy can be protected through sharing model parameters instead of data. The traditional FL updates the global model synchronously, i.e., the RSU needs to wait for all vehicles to upload their models for the global model updating. However, vehicles may usually drive out of the coverage of the RSU before they obtain their local models through training, which reduces the accuracy of the global model. It is necessary to propose an asynchronous federated learning (AFL) to solve this problem, where the RSU updates the global model once it receives a local model from a vehicle. However, the amount of data, computing capability and vehicle mobility may affect the accuracy of the global model. In this paper, we jointly consider the amount of data, computing capability and vehicle mobility to design an AFL scheme to improve the accuracy of the global model. Extensive simulation experiments have demonstrated that our scheme outperforms the FL scheme

This work studies the classical spectral clustering algorithm which embeds the vertices of some graph $G=(V_G, E_G)$ into $\mathbb{R}^k$ using $k$ eigenvectors of some matrix of $G$, and applies $k$-means to partition $V_G$ into $k$ clusters. Our first result is a tighter analysis on the performance of spectral clustering, and explains why it works under some much weaker condition than the ones studied in the literature. For the second result, we show that, by applying fewer than $k$ eigenvectors to construct the embedding, spectral clustering is able to produce better output for many practical instances; this result is the first of its kind in spectral clustering. Besides its conceptual and theoretical significance, the practical impact of our work is demonstrated by the empirical analysis on both synthetic and real-world datasets, in which spectral clustering produces comparable or better results with fewer than $k$ eigenvectors.

Time series anomaly detection (TSAD) is an important data mining task with numerous applications in the IoT era. In recent years, a large number of deep neural network-based methods have been proposed, demonstrating significantly better performance than conventional methods on addressing challenging TSAD problems in a variety of areas. Nevertheless, these deep TSAD methods typically rely on a clean training dataset that is not polluted by anomalies to learn the "normal profile" of the underlying dynamics. This requirement is nontrivial since a clean dataset can hardly be provided in practice. Moreover, without the awareness of their robustness, blindly applying deep TSAD methods with potentially contaminated training data can possibly incur significant performance degradation in the detection phase. In this work, to tackle this important challenge, we firstly investigate the robustness of commonly used deep TSAD methods with contaminated training data which provides a guideline for applying these methods when the provided training data are not guaranteed to be anomaly-free. Furthermore, we propose a model-agnostic method which can effectively improve the robustness of learning mainstream deep TSAD models with potentially contaminated data. Experiment results show that our method can consistently prevent or mitigate performance degradation of mainstream deep TSAD models on widely used benchmark datasets.

Link prediction is an important task that has wide applications in various domains. However, the majority of existing link prediction approaches assume the given graph follows homophily assumption, and designs similarity-based heuristics or representation learning approaches to predict links. However, many real-world graphs are heterophilic graphs, where the homophily assumption does not hold, which challenges existing link prediction methods. Generally, in heterophilic graphs, there are many latent factors causing the link formation, and two linked nodes tend to be similar in one or two factors but might be dissimilar in other factors, leading to low overall similarity. Thus, one way is to learn disentangled representation for each node with each vector capturing the latent representation of a node on one factor, which paves a way to model the link formation in heterophilic graphs, resulting in better node representation learning and link prediction performance. However, the work on this is rather limited. Therefore, in this paper, we study a novel problem of exploring disentangled representation learning for link prediction on heterophilic graphs. We propose a novel framework DisenLink which can learn disentangled representations by modeling the link formation and perform factor-aware message-passing to facilitate link prediction. Extensive experiments on 13 real-world datasets demonstrate the effectiveness of DisenLink for link prediction on both heterophilic and hemophiliac graphs. Our codes are available at https://github.com/sjz5202/DisenLink

Diffusion models have demonstrated impressive image generation performance, and have been used in various computer vision tasks. Unfortunately, image generation using diffusion models is very time-consuming since it requires thousands of sampling steps. To address this problem, here we present a novel pyramidal diffusion model to generate high resolution images starting from much coarser resolution images using a single score function trained with a positional embedding. This enables a time-efficient sampling for image generation, and also solves the low batch size problem when training with limited resources. Furthermore, we show that the proposed approach can be efficiently used for multi-scale super-resolution problem using a single score function.

With the development of blockchain technology, the cryptocurrency based on blockchain technology is becoming more and more popular. This gave birth to a huge cryptocurrency transaction network has received widespread attention. Link prediction learning structure of network is helpful to understand the mechanism of network, so it is also widely studied in cryptocurrency network. However, the dynamics of cryptocurrency transaction networks have been neglected in the past researches. We use graph regularized method to link past transaction records with future transactions. Based on this, we propose a single latent factor-dependent, non-negative, multiplicative and graph regularized-incorporated update (SLF-NMGRU) algorithm and further propose graph regularized nonnegative latent factor analysis (GrNLFA) model. Finally, experiments on a real cryptocurrency transaction network show that the proposed method improves both the accuracy and the computational efficiency

Imitation learning learns a policy from expert trajectories. While the expert data is believed to be crucial for imitation quality, it was found that a kind of imitation learning approach, adversarial imitation learning (AIL), can have exceptional performance. With as little as only one expert trajectory, AIL can match the expert performance even in a long horizon, on tasks such as locomotion control. There are two mysterious points in this phenomenon. First, why can AIL perform well with only a few expert trajectories? Second, why does AIL maintain good performance despite the length of the planning horizon? In this paper, we theoretically explore these two questions. For a total-variation-distance-based AIL (called TV-AIL), our analysis shows a horizon-free imitation gap $\mathcal O(\{\min\{1, \sqrt{|\mathcal S|/N} \})$ on a class of instances abstracted from locomotion control tasks. Here $|\mathcal S|$ is the state space size for a tabular Markov decision process, and $N$ is the number of expert trajectories. We emphasize two important features of our bound. First, this bound is meaningful in both small and large sample regimes. Second, this bound suggests that the imitation gap of TV-AIL is at most 1 regardless of the planning horizon. Therefore, this bound can explain the empirical observation. Technically, we leverage the structure of multi-stage policy optimization in TV-AIL and present a new stage-coupled analysis via dynamic programming

Lean combustion is environment friendly with low NOx emissions and also provides better fuel efficiency in a combustion system. However, approaching towards lean combustion can make engines more susceptible to lean blowout. Lean blowout (LBO) is an undesirable phenomenon that can cause sudden flame extinction leading to sudden loss of power. During the design stage, it is quite challenging for the scientists to accurately determine the optimal operating limits to avoid sudden LBO occurrence. Therefore, it is crucial to develop accurate and computationally tractable frameworks for online LBO detection in low NOx emission engines. To the best of our knowledge, for the first time, we propose a deep learning approach to detect lean blowout in combustion systems. In this work, we utilize a laboratory-scale combustor to collect data for different protocols. We start far from LBO for each protocol and gradually move towards the LBO regime, capturing a quasi-static time series dataset at each condition. Using one of the protocols in our dataset as the reference protocol and with conditions annotated by domain experts, we find a transition state metric for our trained deep learning model to detect LBO in the other test protocols. We find that our proposed approach is more accurate and computationally faster than other baseline models to detect the transitions to LBO. Therefore, we recommend this method for real-time performance monitoring in lean combustion engines.

Task scheduling is a critical problem when one user offloads multiple different tasks to the edge server. When a user has multiple tasks to offload and only one task can be transmitted to server at a time, while server processes tasks according to the transmission order, the problem is NP-hard. However, it is difficult for traditional optimization methods to quickly obtain the optimal solution, while approaches based on reinforcement learning face with the challenge of excessively large action space and slow convergence. In this paper, we propose a Digital Twin (DT)-assisted RL-based task scheduling method in order to improve the performance and convergence of the RL. We use DT to simulate the results of different decisions made by the agent, so that one agent can try multiple actions at a time, or, similarly, multiple agents can interact with environment in parallel in DT. In this way, the exploration efficiency of RL can be significantly improved via DT, and thus RL can converges faster and local optimality is less likely to happen. Particularly, two algorithms are designed to made task scheduling decisions, i.e., DT-assisted asynchronous Q-learning (DTAQL) and DT-assisted exploring Q-learning (DTEQL). Simulation results show that both algorithms significantly improve the convergence speed of Q-learning by increasing the exploration efficiency.

Using the data from loop detector sensors for near-real-time detection of traffic incidents in highways is crucial to averting major traffic congestion. While recent supervised machine learning methods offer solutions to incident detection by leveraging human-labeled incident data, the false alarm rate is often too high to be used in practice. Specifically, the inconsistency in the human labeling of the incidents significantly affects the performance of supervised learning models. To that end, we focus on a data-centric approach to improve the accuracy and reduce the false alarm rate of traffic incident detection on highways. We develop a weak supervised learning workflow to generate high-quality training labels for the incident data without the ground truth labels, and we use those generated labels in the supervised learning setup for final detection. This approach comprises three stages. First, we introduce a data preprocessing and curation pipeline that processes traffic sensor data to generate high-quality training data through leveraging labeling functions, which can be domain knowledge-related or simple heuristic rules. Second, we evaluate the training data generated by weak supervision using three supervised learning models -- random forest, k-nearest neighbors, and a support vector machine ensemble -- and long short-term memory classifiers. The results show that the accuracy of all of the models improves significantly after using the training data generated by weak supervision. Third, we develop an online real-time incident detection approach that leverages the model ensemble and the uncertainty quantification while detecting incidents. Overall, we show that our proposed weak supervised learning workflow achieves a high incident detection rate (0.90) and low false alarm rate (0.08).

Government agencies collect and manage a wide range of ever-growing datasets. While such data has the potential to support research and evidence-based policy making, there are concerns that the dissemination of such data could infringe upon the privacy of the individuals (or organizations) from whom such data was collected. To appraise the current state of data sharing, as well as learn about opportunities for stimulating such sharing at a faster pace, a virtual workshop was held on May 21st and 26th, 2021, sponsored by the National Science Foundation and National Institute of Standards and Technologies, where a multinational collection of researchers and practitioners were brought together to discuss their experiences and learn about recently developed technologies for managing privacy while sharing data. The workshop specifically focused on challenges and successes in government data sharing at various levels. The first day focused on successful examples of new technology applied to sharing of public data, including formal privacy techniques, synthetic data, and cryptographic approaches. Day two emphasized brainstorming sessions on some of the challenges and directions to address them.

Pure vision transformer architectures are highly effective for short video classification and action recognition tasks. However, due to the quadratic complexity of self attention and lack of inductive bias, transformers are resource intensive and suffer from data inefficiencies. Long form video understanding tasks amplify data and memory efficiency problems in transformers making current approaches unfeasible to implement on data or memory restricted domains. This paper introduces an efficient Spatio-Temporal Attention Network (STAN) which uses a two-stream transformer architecture to model dependencies between static image features and temporal contextual features. Our proposed approach can classify videos up to two minutes in length on a single GPU, is data efficient, and achieves SOTA performance on several long video understanding tasks.

We consider the problem of characterizing Bayesian networks up to unconditional equivalence, i.e., when directed acyclic graphs (DAGs) have the same set of unconditional $d$-separation statements. Each unconditional equivalence class (UEC) is uniquely represented with an undirected graph whose clique structure encodes the members of the class. Via this structure, we provide a transformational characterization of unconditional equivalence; i.e., we show that two DAGs are in the same UEC if and only if one can be transformed into the other via a finite sequence of specified moves. We also extend this characterization to the essential graphs representing the Markov equivalence classes (MECs) in the UEC. UECs partition the space of MECs and are easily estimable from marginal independence tests. Thus, a characterization of unconditional equivalence has applications in methods that involve searching the space of MECs of Bayesian networks.

During applying data-oriented diagnosis systems to distinguishing the type of and evaluating the severity of nuclear power plant initial events, it is of vital importance to decide which parameters to be used as the system input. However, although several diagnosis systems have already achieved acceptable performance in diagnosis precision and speed, hardly have the researchers discussed the method of monitoring point choosing and its layout. For this reason, redundant measuring data are used to train the diagnostic model, leading to high uncertainty of the classification, extra training time consumption, and higher probability of overfitting while training. In this study, a method of choosing thermal hydraulics parameters of a nuclear power plant is proposed, using the theory of post-hoc interpretability theory in deep learning. At the start, a novel Time-sequential Residual Convolutional Neural Network (TRES-CNN) diagnosis model is introduced to identify the position and hydrodynamic diameter of breaks in LOCA, using 38 parameters manually chosen on HPR1000 empirically. Afterwards, post-hoc interpretability methods are applied to evaluate the attributions of diagnosis model's outputs, deciding which 15 parameters to be more decisive in diagnosing LOCA details. The results show that the TRES-CNN based diagnostic model successfully predicts the position and size of breaks in LOCA via selected 15 parameters of HPR1000, with 25% of time consumption while training the model compared the process using total 38 parameters. In addition, the relative diagnostic accuracy error is within 1.5 percent compared with the model using parameters chosen empirically, which can be regarded as the same amount of diagnostic reliability.

We present RemixIT, a simple yet effective self-supervised method for training speech enhancement without the need of a single isolated in-domain speech nor a noise waveform. Our approach overcomes limitations of previous methods which make them dependent on clean in-domain target signals and thus, sensitive to any domain mismatch between train and test samples. RemixIT is based on a continuous self-training scheme in which a pre-trained teacher model on out-of-domain data infers estimated pseudo-target signals for in-domain mixtures. Then, by permuting the estimated clean and noise signals and remixing them together, we generate a new set of bootstrapped mixtures and corresponding pseudo-targets which are used to train the student network. Vice-versa, the teacher periodically refines its estimates using the updated parameters of the latest student models. Experimental results on multiple speech enhancement datasets and tasks not only show the superiority of our method over prior approaches but also showcase that RemixIT can be combined with any separation model as well as be applied towards any semi-supervised and unsupervised domain adaptation task. Our analysis, paired with empirical evidence, sheds light on the inside functioning of our self-training scheme wherein the student model keeps obtaining better performance while observing severely degraded pseudo-targets.

The development of autonomous agents which can interact with other agents to accomplish a given task is a core area of research in artificial intelligence and machine learning. Towards this goal, the Autonomous Agents Research Group develops novel machine learning algorithms for autonomous systems control, with a specific focus on deep reinforcement learning and multi-agent reinforcement learning. Research problems include scalable learning of coordinated agent policies and inter-agent communication; reasoning about the behaviours, goals, and composition of other agents from limited observations; and sample-efficient learning based on intrinsic motivation, curriculum learning, causal inference, and representation learning. This article provides a broad overview of the ongoing research portfolio of the group and discusses open problems for future directions.

In 1954, Alston S. Householder published Principles of Numerical Analysis, one of the first modern treatments on matrix decomposition that favored a (block) LU decomposition-the factorization of a matrix into the product of lower and upper triangular matrices. And now, matrix decomposition has become a core technology in machine learning, largely due to the development of the back propagation algorithm in fitting a neural network. The sole aim of this survey is to give a self-contained introduction to concepts and mathematical tools in numerical linear algebra and matrix analysis in order to seamlessly introduce matrix decomposition techniques and their applications in subsequent sections. However, we clearly realize our inability to cover all the useful and interesting results concerning matrix decomposition and given the paucity of scope to present this discussion, e.g., the separated analysis of the Euclidean space, Hermitian space, Hilbert space, and things in the complex domain. We refer the reader to literature in the field of linear algebra for a more detailed introduction to the related fields.

Open material databases storing hundreds of thousands of material structures and their corresponding properties have become the cornerstone of modern computational materials science. Yet, the raw outputs of the simulations, such as the trajectories from molecular dynamics simulations and charge densities from density functional theory calculations, are generally not shared due to their huge size. In this work, we describe a cloud-based platform to facilitate the sharing of raw data and enable the fast post-processing in the cloud to extract new properties defined by the user. As an initial demonstration, our database currently includes 6286 molecular dynamics trajectories for amorphous polymer electrolytes and 5.7 terabytes of data. We create a public analysis library at https://github.com/TRI-AMDD/htp_md to extract multiple properties from the raw data, using both expert designed functions and machine learning models. The analysis is run automatically with computation in the cloud, and results then populate a database that can be accessed publicly. Our platform encourages users to contribute both new trajectory data and analysis functions via public interfaces. Newly analyzed properties will be incorporated into the database. Finally, we create a front-end user interface at https://www.htpmd.matr.io for browsing and visualization of our data. We envision the platform to be a new way of sharing raw data and new insights for the computational materials science community.

Partial Differential Equations (PDEs) are used to model a variety of dynamical systems in science and engineering. Recent advances in deep learning have enabled us to solve them in a higher dimension by addressing the curse of dimensionality in new ways. However, deep learning methods are constrained by training time and memory. To tackle these shortcomings, we implement Tensor Neural Networks (TNN), a quantum-inspired neural network architecture that leverages Tensor Network ideas to improve upon deep learning approaches. We demonstrate that TNN provide significant parameter savings while attaining the same accuracy as compared to the classical Dense Neural Network (DNN). In addition, we also show how TNN can be trained faster than DNN for the same accuracy. We benchmark TNN by applying them to solve parabolic PDEs, specifically the Black-Scholes-Barenblatt equation, widely used in financial pricing theory, empirically showing the advantages of TNN over DNN. Further examples, such as the Hamilton-Jacobi-Bellman equation, are also discussed.

This paper studies model-based bandit and reinforcement learning (RL) with nonlinear function approximations. We propose to study convergence to approximate local maxima because we show that global convergence is statistically intractable even for one-layer neural net bandit with a deterministic reward. For both nonlinear bandit and RL, the paper presents a model-based algorithm, Virtual Ascent with Online Model Learner (ViOlin), which provably converges to a local maximum with sample complexity that only depends on the sequential Rademacher complexity of the model class. Our results imply novel global or local regret bounds on several concrete settings such as linear bandit with finite or sparse model class, and two-layer neural net bandit. A key algorithmic insight is that optimism may lead to over-exploration even for two-layer neural net model class. On the other hand, for convergence to local maxima, it suffices to maximize the virtual return if the model can also reasonably predict the size of the gradient and Hessian of the real return.

Nearly 30% of the people in the rural areas of Bangladesh are below the poverty level. Moreover, due to the unavailability of modernized healthcare-related technology, nursing and diagnosis facilities are limited for rural people. Therefore, rural people are deprived of proper healthcare. In this perspective, modern technology can be facilitated to mitigate their health problems. ECG sensing tools are interfaced with the human chest, and requisite cardiovascular data is collected through an IoT device. These data are stored in the cloud incorporates with the MQTT and HTTP servers. An innovative IoT-based method for ECG monitoring systems on cardiovascular or heart patients has been suggested in this study. The ECG signal parameters P, Q, R, S, T are collected, pre-processed, and predicted to monitor the cardiovascular conditions for further health management. The machine learning algorithm is used to determine the significance of ECG signal parameters and error rate. The logistic regression model fitted the better agreements between the train and test data. The prediction has been performed to determine the variation of PQRST quality and its suitability in the ECG Monitoring System. Considering the values of quality parameters, satisfactory results are obtained. The proposed IoT-based ECG system reduces the health care cost and complexity of cardiovascular diseases in the future.

We present a novel methodology to build powerful predictive process models. Our method, denoted ProcK (Process & Knowledge), relies not only on sequential input data in the form of event logs, but can learn to use a knowledge graph to incorporate information about the attribute values of the events and their mutual relationships. The idea is realized by mapping event attributes to nodes of a knowledge graph and training a sequence model alongside a graph neural network in an end-to-end fashion. This hybrid approach substantially enhances the flexibility and applicability of predictive process monitoring, as both the static and dynamic information residing in the databases of organizations can be directly taken as input data. We demonstrate the potential of ProcK by applying it to a number of predictive process monitoring tasks, including tasks with knowledge graphs available as well as an existing process monitoring benchmark where no such graph is given. The experiments provide evidence that our methodology achieves state-of-the-art performance and improves predictive power when a knowledge graph is available.

A new method for multimodal sensor fusion is introduced. The technique relies on a two-stage process. In the first stage, a multimodal generative model is constructed from unlabelled training data. In the second stage, the generative model serves as a reconstruction prior and the search manifold for the sensor fusion tasks. The method also handles cases where observations are accessed only via subsampling i.e. compressed sensing. We demonstrate the effectiveness and excellent performance on a range of multimodal fusion experiments such as multisensory classification, denoising, and recovery from subsampled observations.

Autoregressive generative models can estimate complex continuous data distributions, like trajectory rollouts in an RL environment, image intensities, and audio. Most state-of-the-art models discretize continuous data into several bins and use categorical distributions over the bins to approximate the continuous data distribution. The advantage is that the categorical distribution can easily express multiple modes and are straightforward to optimize. However, such approximation cannot express sharp changes in density without using significantly more bins, making it parameter inefficient. We propose an efficient, expressive, multimodal parameterization called Adaptive Categorical Discretization (AdaCat). AdaCat discretizes each dimension of an autoregressive model adaptively, which allows the model to allocate density to fine intervals of interest, improving parameter efficiency. AdaCat generalizes both categoricals and quantile-based regression. AdaCat is a simple add-on to any discretization-based distribution estimator. In experiments, AdaCat improves density estimation for real-world tabular data, images, audio, and trajectories, and improves planning in model-based offline RL.

In this paper, we develop a simple yet effective screening rule strategy to improve the computational efficiency in solving structured optimization involving nonconvex $\ell_{q,p}$ regularization. Based on an iteratively reweighted $\ell_1$ (IRL1) framework, the proposed screening rule works like a preprocessing module that potentially removes the inactive groups before starting the subproblem solver, thereby reducing the computational time in total. This is mainly achieved by heuristically exploiting the dual subproblem information during each iteration.Moreover, we prove that our screening rule can remove all inactive variables in a finite number of iterations of the IRL1 method. Numerical experiments illustrate the efficiency of our screening rule strategy compared with several state-of-the-art algorithms.

In this paper, we study how to use masked signal modeling in vision and language (V+L) representation learning. Instead of developing masked language modeling (MLM) and masked image modeling (MIM) independently, we propose to build joint masked vision and language modeling, where the masked signal of one modality is reconstructed with the help from another modality. This is motivated by the nature of image-text paired data that both of the image and the text convey almost the same information but in different formats. The masked signal reconstruction of one modality conditioned on another modality can also implicitly learn cross-modal alignment between language tokens and image patches. Our experiments on various V+L tasks show that the proposed method not only achieves state-of-the-art performances by using a large amount of data, but also outperforms the other competitors by a significant margin in the regimes of limited training data.

We present KPI-BERT, a system which employs novel methods of named entity recognition (NER) and relation extraction (RE) to extract and link key performance indicators (KPIs), e.g. "revenue" or "interest expenses", of companies from real-world German financial documents. Specifically, we introduce an end-to-end trainable architecture that is based on Bidirectional Encoder Representations from Transformers (BERT) combining a recurrent neural network (RNN) with conditional label masking to sequentially tag entities before it classifies their relations. Our model also introduces a learnable RNN-based pooling mechanism and incorporates domain expert knowledge by explicitly filtering impossible relations. We achieve a substantially higher prediction performance on a new practical dataset of German financial reports, outperforming several strong baselines including a competing state-of-the-art span-based entity tagging approach.

Fine-tuning BERT-based models is resource-intensive in memory, computation, and time. While many prior works aim to improve inference efficiency via compression techniques, e.g., pruning, these works do not explicitly address the computational challenges of training to downstream tasks. We introduce Learner modules and priming, novel methods for fine-tuning that exploit the overparameterization of pre-trained language models to gain benefits in convergence speed and resource utilization. Learner modules navigate the double bind of 1) training efficiently by fine-tuning a subset of parameters, and 2) training effectively by ensuring quick convergence and high metric scores. Our results on DistilBERT demonstrate that learners perform on par with or surpass the baselines. Learners train 7x fewer parameters than state-of-the-art methods on GLUE. On CoLA, learners fine-tune 20% faster, and have significantly lower resource utilization.

Deep neural networks suffer from significant performance deterioration when there exists distribution shift between deployment and training. Domain Generalization (DG) aims to safely transfer a model to unseen target domains by only relying on a set of source domains. Although various DG approaches have been proposed, a recent study named DomainBed, reveals that most of them do not beat the simple Empirical Risk Minimization (ERM). To this end, we propose a general framework that is orthogonal to existing DG algorithms and could improve their performance consistently. Unlike previous DG works that stake on a static source model to be hopefully a universal one, our proposed AdaODM adaptively modifies the source model at test time for different target domains. Specifically, we create multiple domain-specific classifiers upon a shared domain-generic feature extractor. The feature extractor and classifiers are trained in an adversarial way, where the feature extractor embeds the input samples into a domain-invariant space, and the multiple classifiers capture the distinct decision boundaries that each of them relates to a specific source domain. During testing, distribution differences between target and source domains could be effectively measured by leveraging prediction disagreement among source classifiers. By fine-tuning source models to minimize the disagreement at test time, target domain features are well aligned to the invariant feature space. We verify AdaODM on two popular DG methods, namely ERM and CORAL, and four DG benchmarks, namely VLCS, PACS, OfficeHome, and TerraIncognita. The results show AdaODM stably improves the generalization capacity on unseen domains and achieves state-of-the-art performance.

We consider a new topological feauturization of $d$-dimensional images, obtained by convolving images with various filters before computing persistence. Viewing a convolution filter as a motif within an image, the persistence diagram of the resulting convolution describes the way the motif is distributed throughout that image. This pipeline, which we call convolutional persistence, extends the capacity of topology to observe patterns in image data. Indeed, we prove that (generically speaking) for any two images one can find some filter for which they produce different persistence diagrams, so that the collection of all possible convolutional persistence diagrams for a given image is an injective invariant. This is proven by showing convolutional persistence to be a special case of another topological invariant, the Persistent Homology Transform. Other advantages of convolutional persistence are improved stability and robustness to noise, greater flexibility for data-dependent vectorizations, and reduced computational complexity for convolutions with large stride vectors. Additionally, we have a suite of experiments showing that convolutions greatly improve the predictive power of persistence on a host of classification tasks, even if one uses random filters and vectorizes the resulting diagrams by recording only their total persistences.

The role of chest X-ray (CXR) imaging, due to being more cost-effective, widely available, and having a faster acquisition time compared to CT, has evolved during the COVID-19 pandemic. To improve the diagnostic performance of CXR imaging a growing number of studies have investigated whether supervised deep learning methods can provide additional support. However, supervised methods rely on a large number of labeled radiology images, which is a time-consuming and complex procedure requiring expert clinician input. Due to the relative scarcity of COVID-19 patient data and the costly labeling process, self-supervised learning methods have gained momentum and has been proposed achieving comparable results to fully supervised learning approaches. In this work, we study the effectiveness of self-supervised learning in the context of diagnosing COVID-19 disease from CXR images. We propose a multi-feature Vision Transformer (ViT) guided architecture where we deploy a cross-attention mechanism to learn information from both original CXR images and corresponding enhanced local phase CXR images. We demonstrate the performance of the baseline self-supervised learning models can be further improved by leveraging the local phase-based enhanced CXR images. By using 10\% labeled CXR scans, the proposed model achieves 91.10\% and 96.21\% overall accuracy tested on total 35,483 CXR images of healthy (8,851), regular pneumonia (6,045), and COVID-19 (18,159) scans and shows significant improvement over state-of-the-art techniques. Code is available https://github.com/endiqq/Multi-Feature-ViT

Semantic Web or Knowledge Graphs (KG) emerged to one of the most important information source for intelligent systems requiring access to structured knowledge. One of the major challenges is the extraction and processing of unambiguous information from textual data. Following the human perception, overlapping semantic linkages between two named entities become clear due to our common-sense about the context a relationship lives in which is not the case when we look at it from an automatically driven process of a machine. In this work, we are interested in the problem of Relational Resolution within the scope of KGs, i.e, we are investigating the inherent semantic of relationships between entities within a network. We propose a new adaptive AutoEncoder, called V-Coder, to identify relations inherently connecting entities from different domains. Those relations can be considered as being ambiguous and are candidates for disentanglement. Likewise to the Adaptive Learning Theory (ART), our model learns new patterns from the KG by increasing units in a competitive layer without discarding the previous observed patterns whilst learning the quality of each relation separately. The evaluation on real-world datasets of Freebase, Yago and NELL shows that the V-Coder is not only able to recover links from corrupted input data, but also shows that the semantic disclosure of relations in a KG show the tendency to improve link prediction. A semantic evaluation wraps the evaluation up.

The network structure provides critical information for law enforcement agencies to develop effective strategies to interdict illicit supply networks. However, the complete structure of covert networks is often unavailable, thus it is crucially important to develop approaches to infer a more complete structure of covert networks. In this paper, we work on real-world multiplex drug trafficking networks extracted from an investigation report. A statistical approach built on the EM algorithm (DegEM) as well as other methods based on structural similarity are applied to reconstruct the multiplex drug trafficking network given different fractions of observed nodes and links. It is found that DegEM approach achieves the best predictive performance in terms of several accuracy metrics. Meanwhile, structural similarity-based methods perform poorly in reconstructing the drug trafficking networks due to the sparsity of links between nodes in the network. The inferred multiplex networks can be leveraged to (i) inform the decision-making on monitoring covert networks as well as allocating limited resources for collecting additional information to improve the reconstruction accuracy and (ii) develop more effective interdiction strategies.

Motivated by the ever-increasing concerns on personal data privacy and the rapidly growing data volume at local clients, federated learning (FL) has emerged as a new machine learning setting. An FL system is comprised of a central parameter server and multiple local clients. It keeps data at local clients and learns a centralized model by sharing the model parameters learned locally. No local data needs to be shared, and privacy can be well protected. Nevertheless, since it is the model instead of the raw data that is shared, the system can be exposed to the poisoning model attacks launched by malicious clients. Furthermore, it is challenging to identify malicious clients since no local client data is available on the server. Besides, membership inference attacks can still be performed by using the uploaded model to estimate the client's local data, leading to privacy disclosure. In this work, we first propose a model update based federated averaging algorithm to defend against Byzantine attacks such as additive noise attacks and sign-flipping attacks. The individual client model initialization method is presented to provide further privacy protections from the membership inference attacks by hiding the individual local machine learning model. When combining these two schemes, privacy and security can be both effectively enhanced. The proposed schemes are proved to converge experimentally under non-IID data distribution when there are no attacks. Under Byzantine attacks, the proposed schemes perform much better than the classical model based FedAvg algorithm.

Human infants learn the names of objects and develop their own conceptual systems without explicit supervision. In this study, we propose methods for learning aligned vision-language conceptual systems inspired by infants' word learning mechanisms. The proposed model learns the associations of visual objects and words online and gradually constructs cross-modal relational graph networks. Additionally, we also propose an aligned cross-modal representation learning method that learns semantic representations of visual objects and words in a self-supervised manner based on the cross-modal relational graph networks. It allows entities of different modalities with conceptually the same meaning to have similar semantic representation vectors. We quantitatively and qualitatively evaluate our method, including object-to-word mapping and zero-shot learning tasks, showing that the proposed model significantly outperforms the baselines and that each conceptual system is topologically aligned.

Extracting knowledge from unlabeled texts using machine learning algorithms can be complex. Document categorization and information retrieval are two applications that may benefit from unsupervised learning (e.g., text clustering and topic modeling), including exploratory data analysis. However, the unsupervised learning paradigm poses reproducibility issues. The initialization can lead to variability depending on the machine learning algorithm. Furthermore, the distortions can be misleading when regarding cluster geometry. Amongst the causes, the presence of outliers and anomalies can be a determining factor. Despite the relevance of initialization and outlier issues for text clustering and topic modeling, the authors did not find an in-depth analysis of them. This survey provides a systematic literature review (2011-2022) of these subareas and proposes a common terminology since similar procedures have different terms. The authors describe research opportunities, trends, and open issues. The appendices summarize the theoretical background of the text vectorization, the factorization, and the clustering algorithms that are directly or indirectly related to the reviewed works.

The rapid spread of COVID-19 disease has had a significant impact on the world. In this paper, we study COVID-19 data interpretation and visualization using open-data sources for 351 cities and towns in Massachusetts from December 6, 2020 to September 25, 2021. Because cities are embedded in rather complex transportation networks, we construct the spatio-temporal dynamic graph model, in which the graph attention neural network is utilized as a deep learning method to learn the pandemic transition probability among major cities in Massachusetts. Using the spectral graph wavelet transform (SGWT), we process the COVID-19 data on the dynamic graph, which enables us to design effective tools to analyze and detect spatio-temporal patterns in the pandemic spreading. We design a new node classification method, which effectively identifies the anomaly cities based on spectral graph wavelet coefficients. It can assist administrations or public health organizations in monitoring the spread of the pandemic and developing preventive measures. Unlike most work focusing on the evolution of confirmed cases over time, we focus on the spatio-temporal patterns of pandemic evolution among cities. Through the data analysis and visualization, a better understanding of the epidemiological development at the city level is obtained and can be helpful with city-specific surveillance.

Min-max optimization problems (i.e., min-max games) have been attracting a great deal of attention because of their applicability to a wide range of machine learning problems. Although significant progress has been made recently, the literature to date has focused on games with independent strategy sets; little is known about solving games with dependent strategy sets, which can be characterized as min-max Stackelberg games. We introduce two first-order methods that solve a large class of convex-concave min-max Stackelberg games, and show that our methods converge in polynomial time. Min-max Stackelberg games were first studied by Wald, under the posthumous name of Wald's maximin model, a variant of which is the main paradigm used in robust optimization, which means that our methods can likewise solve many convex robust optimization problems. We observe that the computation of competitive equilibria in Fisher markets also comprises a min-max Stackelberg game. Further, we demonstrate the efficacy and efficiency of our algorithms in practice by computing competitive equilibria in Fisher markets with varying utility structures. Our experiments suggest potential ways to extend our theoretical results, by demonstrating how different smoothness properties can affect the convergence rate of our algorithms.

Artificial intelligence holds great promise in medical imaging, especially histopathological imaging. However, artificial intelligence algorithms cannot fully explain the thought processes during decision-making. This situation has brought the problem of explainability, i.e., the black box problem, of artificial intelligence applications to the agenda: an algorithm simply responds without stating the reasons for the given images. To overcome the problem and improve the explainability, explainable artificial intelligence (XAI) has come to the fore, and piqued the interest of many researchers. Against this backdrop, this study examines a new and original dataset using the deep learning algorithm, and visualizes the output with gradient-weighted class activation mapping (Grad-CAM), one of the XAI applications. Afterwards, a detailed questionnaire survey was conducted with the pathologists on these images. Both the decision-making processes and the explanations were verified, and the accuracy of the output was tested. The research results greatly help pathologists in the diagnosis of paratuberculosis.  ( 2 min )

Properties of interest for crystals and molecules, such as band gap, elasticity, and solubility, are generally related to each other: they are governed by the same underlying laws of physics. However, when state-of-the-art graph neural networks attempt to predict multiple properties simultaneously (the multi-task learning (MTL) setting), they frequently underperform a suite of single property predictors. This suggests graph networks may not be fully leveraging these underlying similarities. Here we investigate a potential explanation for this phenomenon: the curvature of each property's loss surface significantly varies, leading to inefficient learning. This difference in curvature can be assessed by looking at spectral properties of the Hessians of each property's loss function, which is done in a matrix-free manner via randomized numerical linear algebra. We evaluate our hypothesis on two benchmark datasets (Materials Project (MP) and QM8) and consider how these findings can inform the training of novel multi-task learning models.  ( 2 min )

In many applications, multiple parties have private data regarding the same set of users but on disjoint sets of attributes, and a server wants to leverage the data to train a model. To enable model learning while protecting the privacy of the data subjects, we need vertical federated learning (VFL) techniques, where the data parties share only information for training the model, instead of the private data. However, it is challenging to ensure that the shared information maintains privacy while learning accurate models. To the best of our knowledge, the algorithm proposed in this paper is the first practical solution for differentially private vertical federated k-means clustering, where the server can obtain a set of global centers with a provable differential privacy guarantee. Our algorithm assumes an untrusted central server that aggregates differentially private local centers and membership encodings from local data parties. It builds a weighted grid as the synopsis of the global dataset based on the received information. Final centers are generated by running any k-means algorithm on the weighted grid. Our approach for grid weight estimation uses a novel, light-weight, and differentially private set intersection cardinality estimation algorithm based on the Flajolet-Martin sketch. To improve the estimation accuracy in the setting with more than two data parties, we further propose a refined version of the weights estimation algorithm and a parameter tuning strategy to reduce the final k-means utility to be close to that in the central private setting. We provide theoretical utility analysis and experimental evaluation results for the cluster centers computed by our algorithm and show that our approach performs better both theoretically and empirically than the two baselines based on existing techniques.  ( 3 min )

Implicit feedback is frequently used for developing personalized recommendation services due to its ubiquity and accessibility in real-world systems. In order to effectively utilize such information, most research adopts the pairwise ranking method on constructed training triplets (user, positive item, negative item) and aims to distinguish between positive items and negative items for each user. However, most of these methods treat all the training triplets equally, which ignores the subtle difference between different positive or negative items. On the other hand, even though some other works make use of the auxiliary information (e.g., dwell time) of user behaviors to capture this subtle difference, such auxiliary information is hard to obtain. To mitigate the aforementioned problems, we propose a novel training framework named Triplet Importance Learning (TIL), which adaptively learns the importance score of training triplets. We devise two strategies for the importance score generation and formulate the whole procedure as a bilevel optimization, which does not require any rule-based design. We integrate the proposed training procedure with several Matrix Factorization (MF)- and Graph Neural Network (GNN)-based recommendation models, demonstrating the compatibility of our framework. Via a comparison using three real-world datasets with many state-of-the-art methods, we show that our proposed method outperforms the best existing models by 3-21\% in terms of Recall@k for the top-k recommendation.  ( 3 min )

Widely observed neural scaling laws, in which error falls off as a power of the training set size, model size, or both, have driven substantial performance improvements in deep learning. However, these improvements through scaling alone require considerable costs in compute and energy. Here we focus on the scaling of error with dataset size and show how both in theory and practice we can break beyond power law scaling and reduce it to exponential scaling instead if we have access to a high-quality data pruning metric that ranks the order in which training examples should be discarded to achieve any pruned dataset size. We then test this new exponential scaling prediction with pruned dataset size empirically, and indeed observe better than power law scaling performance on ResNets trained on CIFAR-10, SVHN, and ImageNet. Given the importance of finding high-quality pruning metrics, we perform the first large-scale benchmarking study of ten different data pruning metrics on ImageNet. We find most existing high performing metrics scale poorly to ImageNet, while the best are computationally intensive and require labels for every image. We therefore developed a new simple, cheap and scalable self-supervised pruning metric that demonstrates comparable performance to the best supervised metrics. Overall, our work suggests that the discovery of good data-pruning metrics may provide a viable path forward to substantially improved neural scaling laws, thereby reducing the resource costs of modern deep learning.

This paper is concerned with constructing a confidence interval for a target policy's value offline based on a pre-collected observational data in infinite horizon settings. Most of the existing works assume no unmeasured variables exist that confound the observed actions. This assumption, however, is likely to be violated in real applications such as healthcare and technological industries. In this paper, we show that with some auxiliary variables that mediate the effect of actions on the system dynamics, the target policy's value is identifiable in a confounded Markov decision process. Based on this result, we develop an efficient off-policy value estimator that is robust to potential model misspecification and provide rigorous uncertainty quantification. Our method is justified by theoretical results, simulated and real datasets obtained from ridesharing companies. A Python implementation of the proposed procedure is available at https://github.com/Mamba413/cope.

The evaluation of the free energy of a stochastic model is considered a significant issue in various fields of physics and machine learning. However, the exact free energy evaluation is computationally infeasible because the free energy expression includes an intractable partition function. Annealed importance sampling (AIS) is a type of importance sampling based on the Markov chain Monte Carlo method that is similar to a simulated annealing and can effectively approximate the free energy. This study proposes an AIS-based approach, which is referred to as marginalized AIS (mAIS). The statistical efficiency of mAIS is investigated in detail based on theoretical and numerical perspectives. Based on the investigation, it is proved that mAIS is more effective than AIS under a certain condition.